Hyperuricemia is mainly caused by the overproduction of uric acid (UA) catalyzed from xanthine by xanthine oxidase (XO) in abnormal purine metabolism in human body. There is an increasing demand for developing novel XO inhibitors of plant origins. The inhibition kinetics and type as well as actions of hesperetin against XO were investigated in vitro using multi-spectroscopic methods including UV-Vis absorption, Fourier transform infrared spectroscopy (FT-IR), fluorescence spectroscopy and molecular docking simulation. Results indicated that hesperetin reversibly inhibited XO in a competitive manner with an inhibition constant (Ki) value of (2.15 ± 0.05) × 10-6 mol/L. Hesperetin had a higher scavenging rate against O2- radical generated by the XO reaction system. The binding of hesperetin to the active site of XO altered the protein’s secondary structure as demonstrated by FT-IR and fluorescence spectra. Molecular docking study revealed that hesperetin had highly affinity to XO and the bonding of hesperetin to the molybdopterin (Mo-pt) active center inhibited not only substrate entry, but also prevented oxygen binding to flavin adenine dinucleotide (another active center in XO). Additionally, hydrophobic interactions and hydrogen bonds contributed to the stabilization of the hesperetin-XO complex. The results suggested that hesperetin be a promising natural XO inhibitor to alleviate hyperuricemia and gout.

A hypothesis that the generally accepted value of the LiPON conductivity should be attributed to the absorption and displacement currents is substantiated. The reason is a small contribution of the drift current due to field screening by the electric double layer. The basis for this assumption is the measurement of the LiPON absorption capacitance, according to which its dielectric constant is about 106. An alternative equivalent circuit containing a non-ideal absorption element is proposed and its impedance is calculated. It is shown that the Bode diagrams of the alternative circuit well approximate the experimental curves. Parameters and the magnitude of electric field screening are calculated basing on proposed model of a double electric layer. Considering the screening effect, the drift conductivity of LiPON is obtained, which value is in good agreement with the data on lithium concentration and mobility.

Micro-Raman spectroscopy was carried out to evaluate the localized residual stresses in commercial Gallium Nitride-based devices, specifically AlGaN/GaN High Electron Mobility Transistors (HEMTs) in a novel packaging design provided by STMicroelectronics S.r.l. The packaging plays a key role in protecting the device core against the external environment, thus minimizing damages caused by mechanical shocks, exposure to light, and contact with chemicals, conjointly achieving an efficient heat dissipation rate. Even though the packaging is a required step for the proper functioning of ready-to-use electronic devices, its application typically may introduce mechanical stress to AlGaN/GaN HEMTs, which can result in various reliability issues. In this paper, we investigate the impact of packaging on residual stress by analyzing the frequency shift of the E2 Raman peak along GaN layers and at the GaN/Si interface. An extensive evaluation was conducted using both a packaged device and a wafer-level device. The correlation between Raman frequency shifts of the E2 mode was accurately quantified, revealing a stress mitigation of approximately 0.1 GPa. This reduction is ascribed to the compressive stress introduced by the packaging, which partially offsets the intrinsic tensile stress of the wafer-level device. The proposed methodology could, in principle, be implemented to improve the development of a packaging.

A comprehensive study of the interactions of human serum albumin (HSA) and α-1-acid glycoprotein (AAG) with two isoquinoline alkaloids: allocryptopine (ACP) and protopine (PP) was performed. The UV-Vis spectroscopy, molecular docking, competitive binding assays, and circular dichroism (CD) spectroscopy were used for the investigations. The results showed that ACP and PP form spontaneous and stable complexes with HSA and AAG, with ACP displaying a stronger affinity towards both proteins. Molecular docking studies showed also revealed the preferential binding of ACP and PP to specific sites within HSA, with site 2 (IIIA) being identified as the favored location for both alkaloids. This was supported by competitive binding assays using markers specific to HSA's drug binding sites. Similarly, for AAG, a decrease in fluorescence intensity upon addition of the alkaloids to AAG/ Quinaldine Red (QR) complexes indicated the replacement of the marker by the alkaloids, with ACP showing a greater extent of replacement than PP. CD spectroscopy showed that the proteins’ structures remained largely unchanged suggesting that the formation of complexes did not significantly perturb the overall spatial configuration of these macromolecules. These findings are crucial for advancing the knowledge on the natural products-protein interactions and the future design of isoquinoline alkaloid-based therapeutics.

Raman spectra of [TeX6](Y2) (X, Y - Cl, Br, I) were recorded in the temperature range 5-300 K. The vibration frequency of molecular halogens as function on temperature and the type of halogen X- in the [TeX6]2- complex was obtained. The vibration frequency of the molecular halogen Y2 depends on the type of halogen X- complex [TeX6]2- The temperature dependence of the Y2 frequency is anomalous compared to what was expected for a conventional anharmonic oscillator. It is shown that the interpretation of the experimental results based on the concept of traditional chemical bonding is quite satisfactory in all cases. The study was motivated by the need to consider the mechanism of interaction in the X-Y2 contacts.

Tropical rock lobsters (Panulirus ornatus) are a highly cannibalistic species with intermoult animals predominantly attacking animals during ecdysis (moulting). Rapid, positive characterisation of pre-ecdysis lobsters may open a pathway to disrupt cannibalism. Ecdysial suture line development is considered for pre-ecdysis recognition with suture line definition compared for lobsters emerged and immerged, using white, near ultraviolet (365 nm), near infrared (850 nm) and spe-cialty Osram SFH 4737 broadband IR LEDs against a reference of intermoult lobsters with no suture line development. An alternative pre-ecdysis recognition strategy used a novel low-cost spectral camera composed of the Sony IMX219, AMS AS7265x spectral sensors and Osram SFH 4737 broadband infrared LEDs. Images and data using the novel low-cost spectral camera was acquired from intermoult, pre-ecdysis, and post-ecdysis lobsters. Compared with the white light appear-ance, suture line definition was enhanced under 850 nm, 365 nm, and SFH 4737 LEDs for immerged lobsters, while the 850 nm LED achieved the best suture line definition of emerged lobsters. The spectral camera was unable to characterise pre-ecdysis. A least squares regression for binary classification decision boundary successfully separated 86.7% of post-moult lobsters. Achieving post-moult characterisation validated the speculative exploratory approach in developing this novel low-cost spectroscopy tool.

Retired Electric vehicles (EVs) batteries are reused in second life energy storage applications. However, the overall performance of repurposed energy storage system (ESS) is limited by the unevenness of individual batteries use in it. Therefore, battery grading is required for optimal performance of ESS. Electrochemical impedance spectroscopy (EIS) based evaluation of battery aging is a promising way to grade lithium-ion batteries. However, it is not practical to measure impedance of mass retired batteries due to high complexity and slowness. In this paper, a broadband multi-sine binary signal (MSBS) perturbation integrated with multichannel EIS system is presented to measure impedance spectra for high-speed aging evaluation of lithium-ion batteries or modules. The measurement speed is multi-times higher than conventional EIS with single-channel configuration. The broadband MSBS is validated with reference sinusoidal sweep perturbation and corresponding root-mean-square error (RMSE) analysis is performed. Moreover, the accuracy of the presented multichannel EIS system is validated by impedance spectra measurement of Samsung INR18650-29E batteries and comparing it with those measured with commercial EIS instrument. A chi-squared error under 0.641% is obtained for all 8-channels. Since the non-linearity of battery has significant impact on quality of impedance spectra. Therefore, Kronig-Kramer (KK) transform validation is also performed.

κ Draconis is a binary system with a classical Be star as the primary component. Its emission-line spectrum consists of hydrogen lines, notably the Hα line with a peak intensity ratio (V/R) variations phase-locked with the orbital period P = 61.55 days. Among binaries demonstrating the Be phenomenon, κ Dra stands out as one of a few systems with a discernible mass of its secondary component. Based on more than 200 spectra obtained in 2014 − 2023, we verified the physical parameters and constructed the mass function. We used part of these data obtained in 2014 − 2021 to investigate regions in the circumstellar disk of the primary component that emit the Hα line using the Doppler tomography method. The results show that the disk has a non-uniform density distribution with a prominent enhancement at Vy≈ 99 km s−1 and Vx≈−6 km s−1 that corresponds to a cloud-like source of the double-peaked Hα line profile. We argue that this enhancement’s motion is responsible for the periodic variations of the Hα V/R ratio, which is synchronised in orbital phase with the radial velocity (RV) of absorption lines from the atmosphere of the primary component.

An imbalance between production and excretion of amyloid β peptide (Aβ) in the brain tissues of Alzheimer’s disease (AD) patients leads to Aβ accumulation and formation of noxious Aβ oligomers/plaques. A promising approach to AD prevention is reduction of free Aβ level by directed enhancement of Aβ binding to its natural depot, human serum albumin (HSA). We previously demonstrated the ability of specific low-molecular-weight ligands (LMWLs) of HSA to improve its affinity for Aβ. Here we develop this approach by bioinformatic search for the clinically approved AD-related LMWLs of HSA, followed by classification of the candidates according to the predicted location of their binding sites on HSA surface, ranking of the candidates, and selective experimental validation of their impact on HSA affinity for Aβ. The top 100 candidate LMWLs were classified into the five clusters. The specific representatives of the different clusters exhibit dramatically different behavior, with 3- to 13-fold changes in equilibrium dissociation constants for the HSA-Aβ40 interaction: prednisone favors HSA-Aβ interaction, mefenamic acid shows the opposite effect, while levothyroxine exhibits the bidirectional effects. Overall, the LMWLs of HSA chosen here provide a basis for drug repurposing for AD prevention, and for search for the medications promoting AD progression.

Meat serves as a vital component of the human diet, offering a rich source of protein and essential trace elements. China stands as both a significant producer and consumer of meat on a global scale, leading the world in terms of total meat production and consumption. As the standard of living within the country continues to rise, there is a growing emphasis on the nutritional value and safety of meat consumption. The tenderness of meat is a critical factor influencing its overall quality. Traditionally, tenderness has been assessed through shear force testing, a method that is inherently destructive, inefficient, and results in considerable sample wastage. In light of these drawbacks, non-destructive testing techniques have emerged as a preferred alternative, promising greater accuracy, efficiency, and convenience without compromising the integrity of the samples. This paper delves into the application of five advanced non-destructive testing technologies in the realm of meat tenderness assessment. These include near-infrared spectroscopy, hyperspectral imaging, Raman spectroscopy, airflow optical fusion detection, and nuclear magnetic resonance detection. Each technology is scrutinized for its respective strengths and limitations, providing a comprehensive overview of their current utility and potential for future development. Moreover, the integration of these techniques with the latest advancements in artificial intelligence (AI) technology is explored. The fusion of AI with non-destructive testing offers a promising avenue for the development of more sophisticated, rapid, and intelligent systems for meat tenderness evaluation. This integration is anticipated to significantly enhance the efficiency and accuracy of quality assessment in the meat industry, ensuring a higher standard of safety and nutritional value for consumers. The paper concludes with a set of technical recommendations aimed at guiding the future direction of non-destructive, AI-enhanced meat tenderness detection, thereby contributing to the ongoing improvement of the meat industry in China and beyond.

Bacterial infections and resistance to antibiotic drugs represent the highest challenges to public health. The search for new and promising compounds with anti-bacterial activity is a very urgent matter. In order to promote the development of platforms enabling to the discovery of compounds with anti-bacterial activity, Fourier Transformed Mid-Infrared (FT-MIR) spectroscopy associated with the machine learning algorithms were used to predict the impact of compounds extracted from Cynara cardunculus against Escherichia coli cells. According to the plant tissue (seeds, dry and fresh leaves, and flowers) and the solvents (ethanol, methanol, acetone, ethyl acetate, and water), compounds with different compositions concerning, phenol content, antioxidant, and antimicrobial activity were obtained. Principal component analysis of spectra, allowed to discriminate compounds that inhibit the E. coli growth, according to the conventional assay. The supervised classification models enabled the prediction of the compound's impact on the E. coli growth, with the accuracy for the test data: Partial least squares-discriminant analysis of 94%; Support vector machines of 89%; k-Nearest neighbor of 72%; and a Backpropagation network of 100%. According to the promising results, the integration of FT-MIR spectroscopy with machine learning presents a high potential to promote the discovery of new compounds with antibacterial activity, thereby streamlining the drug exploratory process.

Gestational diabetes mellitus (GDM) is a hyperglycemia state that is typically diagnosed by an oral glucose tolerance test (OGTT), which is unpleasant, time-consuming, poorly reproducible, and tardy. The machine learning (ML) predictive models that have been proposed to improve GDM diagnosis are usually based on instrumental methods that take hours to get a result. Near-infrared (NIR) spectroscopy, a simple, fast and low-cost analytical technique has never been assessed for the prediction of GDM. This study aims to develop ML predictive models for GDM based on NIR spectroscopy, and to evaluate their potential as early detection or alternative screening tools according to their predictive power and time of analysis. Serum samples from the first (before GDM diagnosis) and the second (at the time of GDM diagnosis) trimester of pregnancy were analyzed by NIR spectroscopy. Four spectral ranges were considered, and 80 pretreatments were tested for each. NIR data-based models were built with single- and multi-block ML techniques. Every model was subjected to double cross-validation. The best first and second trimester models got areas under the receiver operating characteristic curve of 0.5768 ± 0.0635 and 0.8836 ± 0.0259, respectively. This is the first study reporting NIR spectroscopy-based methods for the prediction of GDM. The developed methods allow to predict GDM from 10 µL of serum in only 32 minutes. They are simple and fast, and have a great potential to be applied in clinical practice, especially as alternative screening tools to the OGTT at the time of GDM diagnosis.

Transition metal complexes have historically played a pivotal role in creating vibrant pigments utilized across artistic mediums such as ceramics, paintings, and glass mosaics. Despite their extensive historical use, our understanding of the mechanisms governing transition metal complex behavior has predominantly emerged in recent times, leaving numerous aspects of this process ripe for exploration. These complexes exhibit striking color variations under diverse conditions when employed in pigment formulations. This review utilizes a bottom-up scientific approach, spanning from microscopic to macroscopic scales, to unravel the molecular origins of the colors generated by transition metal complexes in pigments and ceramic glazes. Advanced spectroscopy techniques and computational chemistry play pivotal roles in this endeavor, highlighting the significance of understanding and utilizing analytical data effectively, with careful consideration of each technique's specific application. Furthermore, the review investigates the influence of processing conditions on color variations, providing valuable insights for artists and manufacturers aiming to enhance the precision and quality of their creations while mitigating environmental impact.

Diesel is consistently a very popular fuel for internal combustion engines. Its consumption in the European Union has been rising over recent years, as has the number of engines increasingly sensitive to fuel contamination. One of the most important parameters affecting diesel quality is water content. Although its exceedances of the standard’s permissible amount are not common, they carry the risk of serious damage to expensive, modern fuel injection systems. Current methods of measuring water content require both specialised personnel and equipment, as well as transporting the sample to a suitable laboratory. The research presented in this paper was aimed at verifying whether it would be possible to test the moisture content of diesel using impedance spectroscopy. Once refined, such measurement method could be used in situ. Analysing the properties of diesel is challenging, mainly because many types of the fuel are sold, the chemical composition of which is always a well-guarded manufacturer’s secret. The experimental results obtained on many types of commercially available diesel show that it is possible to use impedance spectroscopy to estimate the water content of different types of diesel fuel. The measurement accuracy achieved makes it possible to detect approaching or exceeding the permissible water content.

Copper(II), nickel(II) and zinc(II) complexes of various peptide fragments of tau protein were studied by potentiometric and spectroscopic techniques. All peptides contained one histidyl residue and represented the sequences of tau(91-97) (Ac-AQPHTEI-NH2), tau(385-390) (Ac-KTDHGA-NH2) and tau(404-409) (Ac-SPRHLS-NH2). Imidazole-N donors of histidine were the primary metal binding sites for all peptides and all metal ions but in case of copper(II) and nickel(II) the deprotonated amide groups were also involved in metal binding by increasing pH. The most stable complexes were formed with copper(II) ion but the presence of prolyl residues resulted in significant changes in the thermodynamic stability and speciation of the systems. It was also demonstrated that nickel(II) and especially zinc(II) complexes have relative low thermodynamic stability with these peptides. Copper(II) catalyzed oxidation of the peptides was also studied. In the presence of H2O2 the fragmentation of peptides can be detected in all cases. In the simultaneous presence of of H2O2 and ascorbic acid the extent of the fragmentation of the peptide is less preferred, and the formation of 2-oxo-histidine also occurs.

The expression of polysialic acid (polySia) on the neuronal cell adhesion molecule (NCAM), is called NCAM-polysialylation, which is strongly related to the migration and invasion of tumor cells and with aggressive in the clinic. Thus, it’s important to select a proper drug to block tumor cell migration for clinic treatment. In this study, we proposed that lactoferrin (LFcinB11) may be a more ideal candidate for inhibition of NCAM polysialylation comparing with CMP and low molecular weight heparin (LMWH), which were determined based on our NMR studies. On the other hand, because neutrophil extracellular traps (NET) is the most dramatic stage in cell death process, and NETs’ release are related to pathogenesis of autoimmune and inflammatory disorders, with proposed involvement in glomerulonephritis, chronic lung disease, sepsis and vascular disorders. In this study, the molecular mechanism of inhibition of NETs’ release using LFcinB11 as inhibitor was also determined. Based on these results, LFcinB11 is proposed to be bifunctional inhibitor for inhibiting both NCAM polysialylation and NETs releases.

Nepal, primarily an agricultural country, heavily relies on agricultural residue and fuelwood for daily energy requirements. In 2022, total energy consumption was 640 PJ, with traditional sources accounting for 64.17%, and fuelwood comprising 58.53% of total fuel consumption. The estimated potential supply of agricultural residue is 26 million tonnes, yielding about 442 million GJ of energy in 2021. Biomass trading often emphasizes volume or weight, necessitating a rapid and non-destructive assessment of energy properties for mutual benefit, aiding in the identification, management, and utilization of biomass sources. In this study, 200 biomass samples were collected in two batches (126 and 74 samples) from various locations in Nepal. Using Partial Least Squares Regression (PLSR), a model was developed correlating higher heating value (HHV) from a bomb calorimeter and spectral data from Fourier Transform near-infrared spectroscopy (FT-NIRS) (3595 – 12,489 cm-1) sensor. PLSR models incorporated raw spectra, eight preprocessing techniques, the multi-preprocessing five-range method, and a genetic algorithm. Outliers in the first batch were identified, and the first batch divided into an 80% calibration set and a 20% validation set, while the second batch was designated as an unknown sample set. The optimum PLSR model, utilizing first derivative preprocessing, improved accuracy by 6.77%, with coefficients of determination in the calibration set, validation set, and unknown set as 0.9694, 0.9578, and 0.8089, respectively. Root mean square errors were 132.4790 J/g, 189.4800 J/g, and 360.8845 J/g for the calibration set (RMSEC), validation set (RMSEP), and unknown set (RMSEUN), respectively. The prediction to deviation ratio (RPD) for the validation set and unknown set was 4.9 and 2.4, respectively. The cross validation model of combined sample data of every sets showed the R2CV of 0.95 and RPDCV of 4.6 indicating the model could serve as a reliable and swift non-destructive alternative for evaluating biomass HHV using NIRS and ready for updating for industrial use. However, incorporating a larger number of representative samples is crucial to enhance accuracy and develop a more comprehensive global model for predicting biomass HHV.

Background. Escalating global plastic production, expected to reach 34,000 million tons by 2050, poses a significant threat to human and environmental well-being, particularly in aquatic ecosystems. Microplastics (MP) and nanoplastics (NP), which originate from the degradation of plastics, are of concern due to their potential bioaccumulation and uptake of pollutants. This study addresses identification methods and focuses on insect meal, a raw material for aquaculture feed. Methods. By using different techniques, the study was able to detect MP and NP in insect meal samples. Chemical digestion with KOH at 60°C efficiently removed organic matter without affecting the synthetic polymer polyethylene (PE). Filtration, confocal Raman microscopy, SEM and TEM were used for comprehensive analysis and integrity tests on PE films were performed using Raman and FTIR spectroscopy. The results showed the presence of PE microplastic particles in the insect meal, which was confirmed by correlative Raman and SEM mapping on a positively charged surface. In addition, the increased resolution of the Raman microscope identified submicrometric PE NP (800 nm). Transmission electron microscopy (TEM) with energy dispersive X-ray spectroscopy (EDX) confirmed plastic-like structures in the insect meal, highlighting the presence of PE plastics characterized by irregular shapes and some agglomeration. The higher carbon concentration in the EDX analysis supported the plastic nature, which was also confirmed by Raman spectroscopy. Conclusions. The study provides a robust method for the detection of MP and NP in insect meal and provides valuable insight into the possible presence of plastics in insect-based aquafeeds. The combination of different analytical methods increases the reliability of the results and sets the stage for future investigations that could focus on the quantification of NP and the assessment of their potential environmental impact.

Water pollution is the main problem in the current scenario which is being faced by mankind due to the industrial and commercial effects. Industrial effluents contain heavy metals and inorganic ions like nitrates and phosphate ions. These ions are being included in waterways through industrial runoff. When the concentration of these hazardous pollutants increases in aquatic flora and fauna causes severe health problems. So remediation of these toxicants from water reserves is of chief importance. Conventional processes along with modern processes are being used for the treatment of industrial wastes. Photo-degradation is a modern method used for the degradation of inorganic ions due to its environmentally friendly nature and cost-effectiveness. In a recent study Aluminum oxide (Al2O3) nanoparticles were synthesized via a green approach at different pH by using Cymbopogan citratus (lemongrass) plant extract and these nanoparticles were used for the removal of inorganic ions from wastewater. The nanoparticles of different pH showed different % degradation of the inorganic ions in acidic medium removal of inorganic waste was less, in basic media % degradation was more as compared to acidic media but maximum % degradation was observed in neutral media like that average % degradation 91% and 81% was observed for nitrate and phosphate ions. The maximum absorbance occurred at 212nm and Al2O3 nanoparticles showed absorbance from 210nm-217nm. The R2 values of pseudo1st, 2nd, and BMG models were 0.956, 0.837, 0.7007 0.95, 0.896, and 0.756 for the nitrate and phosphate ions. Characterizations of synthesized particles were investigated by using UV-visible spectroscopy and other analytical methods like X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). The statistical analyses were done using Simple Linear regression (SLR).

Gold nanohole arrays are periodic metastructures gathering huge interest for biosensing applica-tions. The grating-like structure defines their plasmonic mode features and their angular disper-sion can be used to highlight efficiently their interaction with the fluorescence emission of a properly tuned fluorophore. Resorting to a properly tuned/engineered/optimised plasmonic na-nohole array and a commercial organic dye, we performed an accurate resolved angle-resolved optical characterization. The plasmonic fingerprints was consequently identified as a modification of the dye photoluminescence signal in terms of both spectral redistribution and enhancement. Interestingly, by analyzing the results, an advantageous measurement configuration can be iden-tified to better engineer a suitable platform for efficiency maximization in plasmon-enhanced flu-orescence-based applications. Therefore, the coupling mechanism with the plasmonic modes, and nanostructure properties can be carefully co-optimized.

Introduction The monitoring of cerebral perfusion in patients with brain damage is a major clinical challenge. Monitoring cerebral oxygenation (rSO2) by NIRS was introduced at the turn of the 1980s, and many clinicians believed it was a valuable method for assessing cerebral perfusion and subsequent measures to optimize cerebral flow. The main problem of NIRS usage is the presence of the intermediate structures-skin, skull, meninges, cerebrospinal fluid-and their influence on the outcome of the test. Therefore, it seems that NIRS assessment performed on a patient during brain death attempts, can give an idea of the magnitude of the influence of these intermediate structures on the monitoring result. Case We present a retrospective analysis of cerebral oxygenation measurements of a patient undergoing a brain death diagnostic procedure. A clinical situation where the cerebral blood flow is stopped can give an idea of the specificity of the method, particularly the impact of the influence of intermediate structures on the monitoring outcome. In this case, the NIRS result is increased by the oxygenation of the patient before the apnoea test. The influence of chromophores in the tissues surrounding the CNS, reflections and scattering of the light wave spectrum have a very significant effect on the final result of cerebral saturation measurement. Discussion The majority of research observations describing changes in cerebral perfusion or its optimisation may be burdened by the problem described, i.e. the significant influence of measured oxygenation from intermediate structures. The specificity of NIRS to assess cerebral perfusion requires careful analysis. The therapeutic implications of monitoring cerebral oxygenation with NIRS are of great importance and, from the example presented and the literature provided, the method should be used with caution. It has been shown that in a patient with brain death, the result of NIRS oxygenation measurements depends on the surrounding structures of the brain.

Poly(vinyl acetate) (PVAC) is a ubiquitous polymer in various industrial applications, including paints and adhesives. While extensive research has focused on understanding the degradation mechanisms of PVAC-based paint, under different environmental conditions, limited attention has been paid to the long-term stability of PVAC-based white glues, especially when used in artworks. This study investigates the accelerated degradation of a commercial PVAC-based white glue considered as representive of this class of materials as used in contemporary artworks, to predict its durability and assess its behavior in art objects. Through accelerated aging experiments and comparison with natural aging observed in artworks, the study reveals the formation of chromophores and the release of plasticizer as key degradation processes. Despite minimal structural modifications in PVAC, the loss of plasticizer leads to an increase in glass transition temperature, affecting the adhesive's cohesive strength and contributing to detachment of materials in artworks. The findings underscore the importance of preventive conservation measures to mitigate degradation issues in PVAC-based artworks.

In our study we investigated the accelerated aging process of PLA under 253.7 nm UV-C irradiation with the use of GPC, NMR, FTIR, DSC methods and formal kinetic analysis. The results of GPC and DSC indicated a significant degree of destructive changes in PLA macromol-ecules, while spectroscopic methods NMR and FTIR showed maintenance of PLA main structural elements even after a long time of UV exposure. In addition to that, the GPC method displayed the formation of a high-molecular fraction starting from 24 hours of irradiation, and an increase in its content after 144 hours of experiment. It has been showed for the first time that a distinctive feature of prolonged UV exposure is the occurrence of intra- and intermolecular radical recom-bination reactions, leading to the formation of a high-molecular fraction of PLA decomposition products. This causes the observed slowdown of the photolysis process. It was concluded that photolysis of PLA is a complex of physicochemical processes, the mechanism of which depends on morphological changes in a solid phase of the polymer under UV radiation.

This study investigated the characteristics of radio-frequency middle-pressure argon plasma used in the atomic layer deposition (ALD) of Al2O3 films. Based on the electrical characteristics, that is current, voltage, and phase shift between them, and stability of plasma plume, the optimum plasma power, allowing reliable switching on the plasma for any step of an ALD cycle, was determined. Spectral measurements were performed to determine the gas temperature and reactive species that could be important in the ALD process. The density of metastable argon atoms was estimated using tunable laser absorption spectroscopy. It was concluded that plasma heating of substrates did not affect film growth and proposed that the crystallization-enhancing effect of plasma was due to the action of OH radicals, produced in the plasma.

Addressing within field spatial variability for nitrogen management to avoid over and under-use of nitrogen is crucial for optimizing crop productivity and ensuring environmental sustainability. In this study we investigated the economic, environmental and agronomic benefits of variable rate nitrogen application in potato (Solanum tuberosum). An online visible and near infrared (vis-NIR) spectroscopy sensor we utilized to predict soil moisture content (MC), pH, total organic carbon (TOC), extractable phosphorus (P), potassium (K), magnesium (Mg), and cation exchange capacity (CEC) using a partial least squares regression (PLSR) models. The crop's normalized difference vegetation Index (NDVI) from Sentinel-2 satellite images was incorporated to online measured soil data to derive fertility management zones (MZs) maps, after homogenous raster and clustering analyses. The MZs maps were categorized into high fertile (VR-H), medium-high fertile (VR-MH), medium-low fertile (VR-ML), and low fertile (VR-L) zones. A parallel strip experiment compared variable rate nitrogen (VR-N) with uniform rate (UR) treatments, adjusting nitrogen levels based on fertility zones as: 50% less for VR-H, 25% less for VR-MH, 25% more for VR-ML, and 50% more for VR-L zones compared to the UR treatment. Results showed that the VR-H zone received a 50% reduction in N fertilizer input and demonstrated a significantly higher crop yield compared to the UR treatment. This implies a potential reduction in negative environmental impact by lowering fertilizer costs while maintaining robust crop yields. In total, the VR -N treatment received an additional 1.2 Kg/ha of nitrogen input, resulting in a crop yield increase of 1.89 tons/ha. The relative gross margin for the VR-N treatment compared to the UR treatment 374.83 €/ha, indicating substantial profitability for the farmer. To further optimize environmental benefits and profitability, additional research is needed to explore site-specific application of all farm resources through precision agricultural technologies.

Reactive oxygen species (ROS) play a pivotal role in cellular function, and their overproduction contributes to oxidative stress, fatigue, aging, and diseases. To counteract these effects, incorpo-rating antioxidant-rich nutrients is recommended. Functional waters, including electrolyzed hydrogen water (EHW), are gaining attention for potential antioxidant effects through daily in-take. This study employs aquaphotomics and near-infrared spectroscopy (NIRS) to elucidate the molecular mechanisms behind the antioxidant activity of EHW. Previous investigation reported a 100% loss in antioxidant functionality through autoclaving, and a 40% decrease with hydrogen gas removal, prompting the current investigation into the mechanisms of antioxidant effects and especially the role of water molecular structure in it. Aquaphotomics analysis of near infrared (NIR) spectral data revealed that the primary characteristic of EHW associated with anti-radical function is presence of water solvation shells. Autoclaving and degassing led to loss of these water molecular species and a significant increase in free water molecules. The study suggests that water shells (solvation shells) in EHW play a crucial role in neutralizing ROS, although the specific ions or nanoparticles responsible for creating these shells remain unidentified. This concept aligns well with existing proposals of the crucial role of water solvation shells in ROS neutralization.

Antimony (Sb) has gained significance as a critical raw material (CRM) within the European Union (EU) due to its strategic importance in various industrial sectors, particularly in the textile industry for flame retardants and as a component of Sb-based semiconductor materials. Moreover, Sb is emerging as a potential alternative for anodes used in lithium-ion batteries, a key element in the Energy transition. This study focused on exploring the feasibility of identifying and quantifying Sb mineralizations through the spectral signature of soils using reflectance spectroscopy, a non-invasive remote sensing technique, and by employing deep learning algorithms such as Convolutional Neural Networks (CNNs). Common signal preprocessing techniques were applied to the spectral data, and the soils were analyzed by Inductively Coupled Plasma Mass Spectrometry (ICP-MS). Despite achieving high R-squared values, the study faces a significant challenge of generalization of the model to new data. Despite the limitations, this study provides valuable insights into potential strategies for future research in this field.

One of the main causes of the dismal prognosis in patients who survive the initial bleeding after aneurysmal subarachnoidal hemorrhage is the delayed cerebral ischaemia caused by vasospasm. Studies suggest that cerebral magnesium and pH may potentially play a role in the pathophysiology of this adverse event. Using phosphorous magnetic resonance spectrocopy (31P-MRS) we calculated the cerebral magnesium (Mg) and pH level in 13 patients who suffered aSAH. The values between the group that developed clinically significant vasospasm (n=7) and the group that did not (n=6) were compared. The results of this study showed significantly lower cerebral Mg levels (p=0.019) and higher pH (p<0.001) in cumulative group (all brain voxels together) in patients who developed clinically significant vasospasm. Further clinical studies on a larger group of carefully selected patients are needed in order to predict clinically significant vasospasm.

Quantifying an imaging modality’s ability to reproduce results is important for establishing its utility. In Magnetic Resonance Spectroscopic Imaging (MRSI), new acquisition protocols are regularly introduced, which improve upon their precursors with respect to signal-to-noise ratio (SNR), total acquisition duration, and nominal voxel resolution. This study has quantified the within-subject and between-subject reproducibility of one such new protocol (reduced-Field-of-View-Density-Weighted-Concentric-Ring-Trajectory (rFOV-DW-CRT) MRSI) by calculating the Coefficient of Variance of data acquired from a test-retest experiment. The Posterior Cingulate Cortex (PCC) and the Right Superior Corona Radiata (SCR) were selected as the Regions of Interest (ROIs) for Grey Matter (GM) and White Matter (WM), respectively. CVs for between-subject and within-subject are consistently around or below 15% for Glx, tCho, and Myo-Ins and below 5% for tNAA and tCr.

Within the spectra of lanthanide atoms quite often overlapping spectral lines (blends) are observed. On the example of complicated blend situations within Pr I and La I it is shown that in such cases a combination of optogalvanic and laser-induced fluorescence detection is necessary to find all transitions contributing to the observed spectral signature.

The wealth of data obtained during the past 20 years using Laser-Induced Breakdown Spectroscopy (LIBS) indicates that the technique is very promising to detect small chemical contents of alloying elements. The potential of LIBS was looked more seriously during the past two decades or so as more data were obtained on Aluminum and steel to study the phenomena in the condition of local thermodynamic equilibrium and time-delay between a Q-switch laser and an intensified CCD camera. Since the past decade, some data on compounds were also shown to be useful in determining small concentrations of harmful elements. This manuscript is intended to show that the technique of LIBS performance is very promising in fields such as micro-machining, in alloying element analysis, surface cleaning and environmental applications even with lightweight spectrometers having a relatively low resolution, which can potentially be air-borne.

Chitosan (CS) nanoparticles are under investigation for a wide range of applications in nanomedicine. The structural, molecular and physicochemical properties of chitosan nanoparticles have a direct bearing on their efficacy in drug conjugation and delivery, gene delivery, and tissue engineering. Herein we report on the structural, morphological and molecular properties of chitosan nanoparticles synthesized using the ionic gelation method with the intended purpose of being used for drug delivery. The chitosan nanoparticles (CS-NPs) were prepared in the 0.25 to 1.0% w/v concentration range, whereas separate samples of the 1.0% w/v CS-NPs were also functionalized with polyethylene oxide (PEO) alone and with a diblock copolymer of PEO and polypropylene glycol (PPG). The average size of the CS-NPs was determined from TEM imaging to be in the range of 11.3 to 14.8 nm. The XRD and TEM analyses show that the CS-NPs have semi-crystalline structure with the degree of crystallinity depending upon the nature of synthesis. Our results show that functionalizing the 1.0% w/v CS-NPs with PEO increases the degree of crystallinity whereas functionalizing with the diblock copolymer PEO - PPG results in a significant increase in their degree crystallinity. The CS/TPP concentration (CS:TPP fixed at 1:1 ratio) had no apparent effect on the degree of crystallinity of the CS-NPs. The results from the FTIR analysis confirm incorporation of TPP with CS in the CS-NPs. Additionally, FTIR analysis shows an enhancement of hydrogen bonding that is consistent with the increase in the degree of crystallinity of the CS-NPs.

The quartz tuning fork used as an acoustic sensor in Quartz-Enhanced Photo-Acoustic Spectroscopy gas detection systems is usually read-out by means of a transimpedance preamplifier, based on a low-noise operational amplifier closed in a feedback loop. The gain-bandwidth product of the operational amplifier used in the circuit is a key parameter which must be properly chosen to guarantee that the circuit works as expected. Here we demonstrate that, if the value of this parameter is not sufficiently large, the response of the preamplifier exhibits a peak at a frequency which does not coincide with the series resonant frequency of the quartz tuning fork. If this peak frequency is selected for modulating the laser bias current and is also used as reference frequency of the lock-in amplifier, a penalty results in terms of signal to noise ratio at the output of the QEPAS sensor. This worsens the performance of the gas sensing system in terms of ultimate detection limits. We show that this happens when the front-end preamplifier of the quartz tuning fork is based on some amplifier models that are typically used for such application, both when the integration time of the lock-in amplifier filter is long, to boost noise rejection, and when it is short, in order to comply with a relevant measurement rate.

Parkinson’s Disease (PD) is a debilitating neurodegenerative disease, causing loss of motor function, and in some instances, cognitive decline and dementia, in those affected. The quality of life can be improved, and disease progression delayed through early interventions, however, current methods of confirming a PD diagnosis are extremely invasive. This prevents their use as a screening tool for the early onset stages of PD. We propose a surface imprinted polymer (SIP) electroimpedance spectroscopy (EIS) biosensor for detecting α-Synuclein (αSyn) and its aggregates, a biomarker that appears in saliva and blood during the early stages of PD as the blood brain barrier degrades. The surface imprinted polymer stamp is fabricated by low temperature melt stamping polycaprolactone (PCL) on interdigitated EIS electrodes. The result is a low-cost, small footprint biosensor that is highly suitable for non-invasive monitoring of the disease biomarker. The sensors were tested with αSyn dilutions in deionized water, and in constant ionic concentration matrix solutions with decreasing concentrations of αSyn to remove the background effects of concentration. The device response confirmed the specificity of these devices to the target protein of monomeric αSyn. The sensor limit of detection was measured to be 5 pg/L and its linear detection range was 5 pg/L – 5 µg/L. This covers the physiological range of αSyn in saliva and makes this a highly promising method of quantifying αSyn monomers for PD patients in the future. The SIP surface was regenerated, and the sensor reused to demonstrate its capability for repeat sensing as a potential continuous monitoring tool for the disease biomarker.

Durum wheat is an important staple food used to obtain several products. At first the wheat is milled to obtain different products: bran, semolina and flour. These products are the base of several artifacts with varying properties both from a nutritional point of view and flavoring characteristics. It is known that most elements concentrate in the outer layers of the wheat seed (pericarp and aleurone) so that the content of the elements vary a lot in the ground products. The present study investigates the characterizing elements of the milled products and the effect of cultivation protocol applied. We measured, by ICP-OES, the concentration of 28 elements in the whole seed and in any grinding products; the results show that only few elements characterize each product. Few elements, but different for each product, permit to disclose the kind of agri-cultural method used: organic or conventional protocol. Five elements: B, Cd, Cu, K, Se, are the most important to distinguish between organic and conventional agriculture by PCA and PLS analysis; these elements also permit some differentiation of products.

In this study, Raman spectroscopy is employed to investigate the chemical compounds of kumquat peels and compared that of orange. Kumquat is a citrus fruit belonging to the genus Fortunella in family Rutaceae. It is observed that kumquat peel has 3 main Raman active characteristic vibration modes specified to carotenoids, which is dominated by β-carotene at 1007, 1158 and 1526 cm-1, as it is well known for orange. The carotenoid distribution within the cross-section of kumquat is also investigated. The carotenoid-related Raman vibration modes are relatively stronger on the peel of kumquat, which is an important finding especially for the fruits that can be eaten with its peel. Our results pave the way to take an attention for the importance of kumquat as being a fruit that can be grown up in different climates compared to orange, which grow in warm climates.

Background: Hyaluronic acid (HA) is well known in the cosmetic industry for its hydrating properties linked to its interaction with keratin in the stratum corneum. Hair is also mainly composed of keratin, but no evidence of penetration and interaction of HA in hair had yet been established. Herein, we examined, with appropriate methods, this penetration and interaction. Methods: Confocal Raman Spectroscopy was used to track HA penetration in hair fibers. Human hair was UV-irradiated, or not, before washing with a number of different shampoo formulations. Low-molecular weight hyaluronic acid, high-molecular weight HA, and an optimized blend of low- and high-molecular weight HA, were used. The benefits of HA for cosmetic application were then evaluated at the ex vivo level. Results: Raman analysis of non-irradiated samples revealed that the HA blend penetrated the hair cortex 5.9 times more than the placebo and with irradiated samples, a 1.8-fold increase in penetration was observed. Whatever the irradiation status, penetration of this optimal HA blend was significantly greater than that of the other two active substances. Compared to the placebo, the HA blend significantly decreased spontaneous frizzing by 11%, repaired the hair by increasing the elastic modulus and the break force, and increased the water content in the hair shafts. Conclusion: Confocal Raman Spectroscopy can be considered as a powerful, non-invasive technique to investigate the penetration of active ingredients into the hair.

The pollution caused by nitrogen dioxide is a major environmental problem in China. This study introduces a new type of atmospheric trace gas remote-sensing instrument, an airborne fiber imaging spectrometer. This spectrometer has a spectral range of 300–410 nm and works in push-broom mode with a 30° field of view on a flight path. Flight experiments were conducted on December 30, 2022 and January 5, 2023, covering heavily polluted areas of east of Beijing and Tangshan. This equipment obtained the density distribution of NO2 over the flight area. The results showed that pollution was mainly concentrated in the Caofeidian area and at the power station in the north, and the main source of pollution was anthropogenic. Satellite and airborne data near the pollution points were compared, and the two datasets showed a positive correlation with a correlation coefficient of 0.78 and 0.7, on the two days, respectively. This study demonstrates the capability of an airborne fiber imaging spectrometer for NO2 regional emission remote sensing and identifying the pollution points.

Ultrafast pump-probe spectroscopic studies allow for deep insights into the mechanisms and timescales of photophysical and photochemical processes. Extracting valuable information from these studies, such as reactive intermediates' lifetimes and coherent oscillation frequencies, is an example of the inverse problems of chemical kinetics. This article describes a consistent approach for solving this inverse problem that avoids the common obstacles of simple least-squares fitting that can lead to unreliable results. The presented approach is based on the regularized Markov Chain Monte Carlo sampling for the strongly nonlinear parameters, allowing for a straightforward solution of the ill-posed nonlinear inverse problem. The software to implement the described fitting routine is introduced and the numerical examples of its application are given. We will also touch on critical experimental parameters, such as the temporal overlap of pulses and cross-correlation time and their connection to the minimal reachable time resolution.

For colloids of NaYF4:Yb3+/Tm3+ nanoparticles in DMSO by the method of time-resolved lumi-nescence spectroscopy with nanosecond pulsed excitation at a wavelength of 975 nm the photo-physical processes that determine the course of kinetic curves have been revealed. It has been found that the luminescence rise time decreases with an increase of the concentration of activators and sensitizers due to increase of the efficiency of energy transfer from sensitizers to activators. Cross-relaxation of the excited states of activators provides a decrease of the lumi-nescence decay time with an increase of the concentration of activators and a constant concentration of the sensitizer. There was no correlation between the time of luminescence decay with the change of the concentration of sensitizers and constant concentration of activators due to the competition of the processes of energy back transfer from activators to sensitizers and the "feeding" of activators by excitations coming from remote sensitizer ions.

The thermal decomposition of siderite and its decomposition products in a vacuum atmosphere was investigated for the first time using in situ high-temperature transmission Mössbauer spectroscopy. These measurements were supported by X-ray diffraction, Raman spectroscopy, X-ray fluorescence, and magnetic measurements. In situ Mössbauer spectra were collected from room temperature (RT) to 750 oC with a temperature step of 50 oC. After that, the sample was cooled down to RT with step 100 oC. Raw siderite samples contain siderite as the only iron-bearing mineral, and after heating the samples at high temperatures, hematite and magnetite are only Fe-bearing phases. In the temperature range of 300 oC - 500 oC, siderite decomposition occurs. The analysis shows that siderite transforms directly into magnetite, and then hematite generation occurs as long as siderite is present in the sample. Changing hyperfine parameters like isomer shift, quadrupole splitting, or hyperfine magnetic field versus temperature were obtained for siderite and iron oxides (hematite, magnetite). The measurements also show that magnetite formed during the decomposition of siderite is a composition of particles of various sizes and a low degree of crystallization.

Natural dyes offer a bio-based opportunity to support attractive coloration to textile fabrics made from natural fibers like cotton, wool, hemp and many other materials. They can be part of a strategy to realize fully bio-based textile materials and clothing. Following this statement, the actual study investigates the use of wood extracts for dyeing of cotton fabrics. Actually extract powders of Logwood (Haematoxylon campechianum L.), Brazilwood (Caesalpinia spp.), and Quebracho wood (Schinopsis lorentzii) are used. The dyeing process is modified using different mordants based on iron and aluminum salts. These mordants are applied in pre-, meta- or post-mordant procedures. Color and fastness properties of prepared textile samples are determined by spectroscopic measurements, color measurements, washing procedures and Xenotest for measuring the light fastness. Finally, a broad range of different colorations can be realized by different combinations of wood extracts and mordanting procedures. A good wash fastness is reached for some color shades. For reaching good wash fastness, pre- and meta-mordanting procedures are more advantageous compared to post-mordanting. However, the light fastness of realized samples is only moderate to low. In conclusion, it can be stated that dyes from wood extracts are excellent materials to dye natural fibers if they are combined with the right mordanting agent in pre- or meta-mordanting procedures. The actual study is therefore a good proof-of-concept for the realization of fully bio-based colored textile materials.

In this work, we have studied microstructure and unusual ferromagnetic behavior in cobalt (Co)-implanted epitaxial tin dioxide (SnO2) films. The study was aimed to provide a comprehensive understanding of the interplay between cobalt implant distribution, crystal defects, such as oxygen vacancies, and magnetic properties in Co-implanted SnO2 films, which has potential applications in spintronics and memristor devices. The scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), vibrating sample magnetometry (VSM), differential thermo-magnetic analysis (DTMA), and ferromagnetic resonance (FMR) were employed for investigations of SnO2 films implanted with 40 keV Co+ ions at room or the elevated temperatures of substrate. The experimental data showed that the Co ion implantation with high fluence of 1.0 1017 ions/cm2 induces significant changes in the microstructure of SnO2 films, leading to the appearance of ferromagnetism with the Curie temperature significantly above room temperature. Strong influence of implantation temperature and subsequent high-temperature annealing in air or in vacuum on magnetic properties of Co-implanted SnO2 films were established. Moreover, the chemical effect of ethanol on FMR spectra were observed. The obtained results are discussed within the model of two magnetic layers with different concentration and valence states of the implanted cobalt and with high content of oxygen vacancies.

Prostate cancer (PC) is the second most diagnosed cancer among men. It was observed that early diagnosis of disease is highly beneficial for survival of cancer patients. Therefore, extension and increasing quality of life of PC patients can be achieved by broadening the Cancer Screening programs that are aimed at the identification of cancer manifestation in patients at earlier stages before they demonstrate well-understood signs of the disease. Therefore, there is an urgent need in standard, sensitive, robust, and commonly available screening and diagnosis tools for identification of early signs of cancer pathologies. In this respect, “Holy Grail” of cancer researchers and bioengineers for decades have been molecular sensing probes that would allow diagnosis, prognosis, and monitoring of cancer diseases by their interaction with cell-secreted and cellassociated PC biomarkers, e.g. PSA and PSMA correspondinly. At present, most PSA tests are performed at centralized laboratories using high throughput Total PSA immune analyzers which are suitable for dedicated laboratories and are not readily available for the broad health screening. Therefore, the current trend in detection of PC is developments of the portable biosensors for mobile laboratories and individual use. Phage display since its conception by George Smith in 1985 has emerged as a premier tool in molecular biology with widespread applications. This review describes how the paradigm of molecular evolution and phage display revolutionized the methods of early diagnosis and monitoring of PC.

Quantification of erythrocytes and leukocytes is an essential aspect of hemogram diagno- 23 sis in Veterinary Medicine. Flow cytometry analysis, laser scattering, and impedance detection are 24 standard laboratory techniques, verified by manual microscopy counting. Although single-cell scat- 25 tering is already used as a standard technology for differentiating cell counts in flow cytometry, it 26 requires capillary cell separation. The current study investigates the scattering characteristics of 27 whole blood to identify correlations with erythrocytes and leukocytes counts. The scattering infor- 28 mation present in blood samples can be classified into three types: i) geometrical scattering, which 29 occurs when non-absorbed light is reflected and scattered, ii) Mie scattering, which happens when 30 light is scattered by particles of a similar size to the wavelength, and iii) Rayleigh scattering, which occurs when light is scattered by particles that are smaller than the incident light wavelength. In 32 this study, we investigate the scattering correction coefficients of dog blood absorption spectra in 33 the visible-near infrared range, to establish direct correlations with erythrocytes and leukocytes 34 counts, using multivariate linear regression. Our findings demonstrate the possibility of using the 35 scattering properties of dog blood, which is a step towards the existence of a portable and miniatur- 36 ized hemogram diagnosis in Veterinary Clinics worldwide.

Surfactants are widely used in the synthesis of nanoparticles, as they have a remarkable ability to direct their growth to obtain well-defined shapes and sizes. However, their post-synthesis removal is a challenge, and the methods used often result in morphological changes that defeat the purpose of the initial controlled growth. The cleaning methods could be classified as thermal or non-thermal. In general, the structure of materials can be better preserved by non-thermal treatments. After the removal of surfactants, the highly active surfaces of nanomaterials may undergo structural reconstruction by exposure to a different environment. Thus, ex situ characterization after air exposure may not reflect the effect of the cleaning methods. In situ characterization is required to better understand the impact of various cleaning procedures. Combining X-ray photoelectron spectroscopy, in situ infrared reflection absorption spectroscopy, and environmental transmission electron microscopy measurements with CO probe experiments, we investigated different surfactant-removal methods to produce clean metallic Pt nanoparticles from surfactant-encapsulated ones. Non-thermal plasmas show the best results. It was demonstrated that both UV-ozone treatment and room temperature O2 plasma treatment lead to the formation of Pt oxides on the surface after the removal of the surfactant. These oxides are reduced to metallic Pt during in situ CO probe experiments. On the other hand, when H2 was used for plasma treatment, the Pt0 oxidation state and nanoparticle size distribution were preserved. In addition, H2 plasma treatment can reduce Pt oxides after O2-based treatments, resulting in metallic nanoparticles with clean surfaces. Thermal reduction in hydrogen leads to carbon species emerging onto nanoparticle surfaces after heating and agglomeration of Pt nanoparticles. Particularly, O2-based thermal treatments result in the formation of aggregates consisting of small nanoparticles. These findings provide a better understanding of the various options for surfactant removal from metal nanoparticles and point toward non-thermal plasmas as the best route if the integrity of the nanoparticle needs to be preserved.

Ultra-low radioactive titanium alloy is a promising material for the manufacture of low-background detectors, which are being developed for experiments in astroparticle physics and neutrino astrophysics. Structural titanium is manufactured on an industrial scale from titanium-sponge. The ultra-low-background titanium-sponge can be produced on an industrial scale with a contamination level of less than 1 mBq/kg of uranium and thorium isotopes. The pathways of contaminants during the industrial production of structural titanium have been analyzed. The measurements have been carried out using two methods: inductively coupled plasma spectroscopy (ICP-MS) and gamma-spectroscopy using high-purity germanium detectors (HPGe). It has been shown that the level of contamination with radioactive impurities does not increase during remelting of titanium-sponge and mechanical processing. We examined titanium-alloys samples obtained at different stages of titanium production, namely, an electrode compaction, a vacuum arc remelting with a consumable electrode (VAR), and a cold rolling of titanium-sheets. It has been found out that all studied samples will be a source of uranium and thorium contamination of the final titanium-alloys. It has been established that the only product allowed obtaining ultra-low-background titanium was the VT1-00 which is manufactured without master alloys addition..

Fast-growing teak is widely cultivated in Indonesia to address the supply and demand of teak trees. However, efforts still need to be made to evaluate the condition of standing teak trees during their growth period. Studies on nondestructive testing (NDT) of wood based on electrical properties through dielectric spectroscopy (DS) are recently being developed, especially for standing tree evaluation. The study aimed to analyze the dielectric value of a fast-growing standing teak tree at frequency ranges 250 kHz – 60 MHz and to understand the relationships between physical and anatomical properties. Dielectric spectroscopy data were collected directly on the trees 4, 5, and 7 years old using a capacitance measurement system. Meanwhile, physical and anatomical samples were taken using a Ø 0.5 cm increment borer. The results showed that fiber length (FL), lumen diameter (LD), and fiber wall thickness (FWT) were significantly different at each tree age. This research found the optimal dielectric frequency to discriminate the wood properties in standing trees. There is a weak relationship (R= 0.2) in predicting the anatomical wood properties, while moderate to strong relationships (R= 0.4 to R= 0.8) are found in predicting wood density based on the selected frequency and moisture content variables. Further analyses and data processing can be improved by finding significant variables in the capacitance measurement system.

Multi-channel and multi-parameter near-infrared spectrometers (NIRS) have gradually become a new research direction and hot spot due to their ability to provide real-time, continuous, comprehensive indicators of multiple parameters. However, multi-channel and multi-parameter detection may lead to crosstalk between signals. There is still a lack of benchmarks on the evaluation of reliability, sensitivity, stability and response consistency of the NIRS instrument. In this study, a set of test methods (the ink drop test, multi-channel crosstalk test and multi-parameter crosstalk test) for analysis crosstalk and verifying the reliability of NIRS were conducted to test experimental verification on a multi-channel (8-channel), multi-parameter (4-parameter) NIRS instrument independently developed by our team. Results show that these tests can be used to analyze the signal crosstalk and verify the reliability, sensitivity, stability and response consistency in the NIRS instrument. This study contributes to the establishment of benchmarks for the NIRS instrument crosstalk and reliability testing. These novel tests have the potential to become the benchmark for the NIRS instrument reliability testing.

Near-infrared spectroscopy (NIRS) has become a key modality in medical imaging, finding application in both brain and breast imaging. This paper discusses the current trends in NIRS for brain and breast imaging, exploring advances in multi-modal integration with modalities such as functional magnetic resonance imaging (fMRI) and electroencephalography (EEG). Challenges related to spatial resolution, depth sensitivity, and the impact of extracerebral tissues on signal specificity are examined. In addition, ongoing efforts to enhance hemodynamic measurements’ quantitative accuracy. Challenges, including limited spatial resolution and tissue heterogeneity, are discussed. The discussion extends to diffuse optical tomography and ongoing instrumentation development, clinical trials and studies validating NIRS diagnostic efficacy in breast imaging. The paper emphasizes the need for standardization, integration into routine clinical practice, and motivates for future work.

The reflection and transmission spectra of a metamaterial formed by omega-shaped elements with pre-calculated optimal parameters on a silicon substrate have been recorded in the terahertz range at oblique incidence for the s- and p- polarizations of the incident wave. The spectra were interpreted within the dipole radiation theory of electromagnetic waves. Both measurement results and analysis provide evidence sup-porting the presence of a pronounced polarization anisotropy impact in the reflection and transmission of the metamaterial. The potential of these materials to be utilized in the development of devices that control the polarization properties of THz radiation across a wide spectral range is examined.

A non-destructive analysis of proximate parameters (moisture content, MC; volatile matter, VM; fixed carbon, FC; and ash content) for a variety of chipped and ground biomasses was investigated through a combination of thermogravimetric analysis (TGA) and near-infrared spectroscopy (NIRS) with partial least squares regression (PLSR). In this study, the thermogravimetric method was employed as a tool to determine the proximate analysis data of biomass samples through TG and DTG curves, which were generated by tracking changes in biomass mass loss over time or temperature. NIRS non−destructively scanned the chipped biomass in diffuse reflectance while ground biomass using transflectance mode, covering the wavenumber range of 3594.87 to 12,489.48 cm−1. The PLSR−based models: Full−PLSR, genetic algorithm (GA)−PLSR, successive projection algorithm (SPA)−PLSR, the spectral multi−preprocessing (MP) PLSR− 5 range method, and the MP PLSR−3 range method were developed. Model performance was assessed, compared, and selected based on the coefficient of determination in the prediction set (R2P), root mean square error in the validation set (RMSEP), and the ratio of prediction to deviation (RPD). Based on the comprehensive analysis of model performance, MC and FC models of chip biomass have demonstrated satisfactory performance which makes it applicable cautiously in any application, including research. The optimum models for MC and FC in chip biomass were constructed using GA−PLSR with 2nd derivative and Full−PLSR with a constant offset, resulting in R2P values of 0.8654 and 0.8773, RMSEP values of 0.85% and 2.12%, and RPD values of 2.9 and 3.0, respectively. Other parameters such as MC and FC in ground biomass as well as VM and ash content in both chip and ground biomass were found suitable for rough screening. The sensitivity of the selected model was assessed by calculating the limit of quantification (LOQ), and the results indicated that the calculated LOQ values for VM in both chip and ground biomass and FC in chip biomass are lower than the minimum reference values used during model development, signifying a high level of sensitivity. However, for the remaining parameters, the LOQ values surpass the established minimum reference value, suggesting the model could not predict the future samples with reference value lower than the calibration range. Nevertheless, enhancing the models by incorporation an ample number of representative biomass samples and consistently validating the models with unknown samples is imperative to ensure accurate predictions.

The reduction of Ce cations in CeO2 can be enhanced by its partial substitution by Fe cations. The enhanced reduction of Ce cations results in a considerable increase in the reaction rates for thermal water splitting reaction when compared to CeO2 alone. This mixed oxide has a smaller crystallite size when compared to CeO2 in addition to a smaller lattice size. In this work, two Fe-substituted Ce oxides are studied (Ce0.95Fe0.05O2 and Ce0.75Fe0.25O2) by core and valence level spectroscopy in their as-prepared and Ar-ions sputtered states. Ar-ions sputtering substantially increases Ce4f lines at about 1.5 eV below the Fermi level. In addition, it is found that the XPS Ce5p/O2s ratio is sensitive to the degree of reduction, most likely due to a higher charge transfer from the oxygen to Ce ions upon reduction. Quantitatively it is also found that XPS Ce3d of the fraction of Ce3+ (uo, u’ and vo, v’) formed upon Ar-ions sputtering and the ratio Ce5p/O2s lines are higher for reduced Ce0.95Fe0.05O2 than for reduced Ce0.75Fe0.25O2. XPS Fe2p showed however no preferential increase for Fe3+ reduction to Fe0 with increasing time for both oxides. Since water splitting was higher on Ce0.95Fe0.05O2 when compared to Ce0.75Fe0.25O2, it is inferred that the reaction centers for the thermal water splitting to hydrogen are the reduced Ce cations and not the reduced Fe cations. These reduced Ce cations can be tracked by their XPS Ce5p/O2s ratio in addition to the common XPS Ce3d lines.

The new diprotic ligand 3,5-di-tert-butylsalicylaldehyde 4-ethyl-3-thiosemicarbazone, abbreviated H2(3,5-t-Bu2)-sal4eT, exists as the thio-keto tautomer and adopts the E-configuration with respect to the imine double bond as evidenced by single-crystal X-ray analysis and corroborated by spectroscopic characterisation. Upon treatment with Cu(OAc)2·H2O in the presence of either 2,9-dimethyl-1,10-phenanthroline (2,9-Me2-phen) or 1,10-phenanthroline (phen) as a co-ligand in MeOH, this thiosemicarbazone undergoes conformational transformation (relative donor-atom orientations: syn,anti → syn,syn) concomitantly with tautomerization and double deprotonation to afford the ternary copper(II) complexes [Cu{(3,5-t-Bu2)-sal4eT}(2,9-Me2-phen)] (1) and [Cu2{3,5-t-Bu2)-sal4eT}2(phen)] (2). Crystallographic elucidation has revealed that complex 1 is a centrosymmetric dimer of mononuclear copper(II) complex molecules brought about by intermolecular H-bonding. The coordination geometry at the copper(II) centre is best described as distorted square pyramidal in accord with the trigonality index (τ = 0.14). The co-ligand adopts an axial-equatorial coordination mode; hence there is a disparity between its two Cu–N coordinate bonds arising from weakening of the apical one as a consequence of the tetragonal distortion. The axial X-band ESR spectrum of complex 1 is consistent with retention of this structure in solution. Complex 2 is a centrosymmetric dimer of dinuclear copper(II) complex molecules exhibiting intermolecular H-bonding and π-π-stacking interactions. The two copper(II) centres, which are 4.8067(18) Å apart and bridged by the thio-enolate nitrogen of the quadridentate thiosemicarbazonate ligand, display two different coordination geometries, one distorted square planar (τ4 = 0.082) and the other distorted square pyramidal (τ5 = 0.33). Such dinuclear copper(II) thiosemicarbazone complexes, which are crystallographically characterised, are extremely rare. In vitro, complexes 1 and 2 outperform cisplatin as antiproliferative agents in terms of potency and selectivity towards HeLa and MCF-7 cancer cell lines.

Bixa orellana dye was extracted from the seed by method of Soxhlet extraction using ethanol and a percentage yield of 4.3 was obtained. Recrystallisation of the dye was performed using chloroform and ethanol. TLC was used to separate the dye into Bixin and Norbixin with R_f values of 0.56 and 0.42 respectively. The extracted dye was pH sensitive, insoluble in water but soluble in some organic solvents like ethanol and acetic acid . Characterisation by UV-spectroscopy showed maximum absorption for Bixin and Norbixin at 457nm and 453nm respectively. FTIR spectrum of Bixin and Norbixin showed bands confirming similar functional groups for both Bixin and Norbixin except for –CO- stretching and methylene vibration which was absent in Norbixin.

Photophysics properties such as fluorescence quenching, and photoexcitation dynamics of bimolecular non-covalent systems consisting of cationic poly[(9,9-di(3,3’-N,N’-trimethyl-ammonium) propyl fluorenyl-2,7-diyl)-alt-co-(9,9-dioctyl-fluorenyl-2,7-diyl)] diiodide salt (PFN) and anionic graphene carboxylate (GC) have been discovered for the first time by the steady state and time-resolved femtosecond transient absorption (TA) spectroscopy with broadband capabilities. The steady-state fluorescence of PFN is quenched with high efficiency by GC acceptor. Fluorescence lifetime measurements revealed that the quenching mechanism of PFN by GC is static. Here, the quenching mechanisms are well proven by TA spectra of PFN/GC systems. For PFN/GC systems, the photo electron transfer (PET) and charge recombination (CR) processes are ultrafast (within few tens of ps) related to static interactions whereas for PFN/DCB systems the PET takes place in few hundreds ps (217.50 ps)1 suggesting diffusion-controlled PET process. In the latter case, the PFN+•-DCB-• radical ion pairs as the result of PET from the PFN to DCB are clearly resolved and they are long-lived. The slow CR process (in 30 ns time scales)1 suggest PFN+• and DCB-• may already form separated radical ion pairs through charge separation (CS) process, which recombined back to the initial state with a characteristic time constant of 30 ns. The advantage of the present positively charged polyfluorene used in this work is the control over the electrostatic interactions and electron transfers in non-covalent polyfluorene/quencher systems in DMSO solution.

Breast cancer is a global health concern, necessitating continuous advancements in diagnostic medical imaging technologies for early detection and improvement of treatment. This paper presents an overview of the past, present and future of breast cancer imaging using light and some results from the current studies. The paper specifically presents the role of Diffuse Optical Tomography (DOT) in breast cancer imaging. Conventional methods, such as X-ray mammography, face limitations. Diffuse Optical Tomography, a non-invasive light-based imaging modality can provide quantitative descriptive and architectural information about breast tissue. The paper discusses the key challenges and recent developments in breast cancer imaging using DOT to overcome some key challenges. This paper aims to contribute to the understanding of the evolving technological landscape in breast cancer imaging using light for improving early detection and patient outcomes.

Scaffolds used for tissue/ bone defect repair must possess versatile properties suitable for each specific application. The issue of antibiotic resistance poses a significant challenge in bone tissue engineering especially when dealing with microbial infections. The most effective approach to address this challenge is to promote the integration of tissue before bacteria can adhere to it, hence preventing the proliferation of certain bacterial strains on the implant. The utilization of 3D printing and or the use of various composite polymers in scaffolds to create antibacterial scaffolds that possess both adequate mechanical strength and exceptional biocompatibility is an attractive approach for addressing the challenges associated with microbial infections in tissue. Herein, a new phage functionalized scaffold was created through surface charge modification of the composite scaffold with polyethyleimine (PEI). Afterwards, the PEI polymerized Scaffolds were incubated with phage lysate for approximately 2h prior to rinsing with ethanol. The morphological and physiochemical properties of formed scaffold were assessed through Raman spectrophotometry while the antibacterial assays were done through growth inhibition zones/ cell viability assays. The polymerized phage composite SF20_PEI.AR9 possessed the highest antimicrobial effect with clear inhibition zones of about 78.30 mm. This could be attributed to the lytic effect of phages on the bacterial cells. Moreover, the enhanced phage effect on the scaffolds was also associated to the improved surface charge on the scaffold, 78,3±7,6 mm which ultimately promoted phage scaffold interface integration hence the high antibacterial activity. The PEI polymerization approach could serve as a model for future development of phage scaffolds.

The article presents a technology for producing nitrogen-containing nanoporous biocarbon with high degree of elemental composition homogeneity, confirmed by electron spectroscopy. The research explores the relationship among the electronic characteristics of supramolecular nanoporous carbon, its porous structure, and the capacitance at its interface with the electrolyte. The obtained biocarbon is characterized by micro and mesopores, as evidenced by the results of studies by the method of nitrogen adsorption/desorption. The specific area of the available porous surface was found to be 1247 m2/g. Comparing this result with the data of small-angle X-ray scattering, we conclude that micropores are open while mesopores remain closed. This material was found to have a saturation magnetization σs of 1.4 A∙m2∙kg-1 and a coercive force Hc of 10 kA/m. The impedance studies of electrochemical cells of supercapacitors made of the experimental biocarbon were carried out. Equivalent electrical circuits of the studied electrochemical processes were constructed and characterized.

The silane (3-Aminopropyl)triethoxysilane (APTES), possesses one terminal amine group and three ethoxy groups extending from each silicon atom, serving as a crucial interface adherent between organic and inorganic materials. In corrosion prevention, APTES is frequently employed as a primer, with subsequent topcoat as an extra protective layer. This topcoat is particularly useful in covering sites where APTES may exhibit poor bonding, such as those involving Cu or Cu-rich alloying elements. In our study, we applied a thin layer of APTES to cleaned AA2024-T3 samples using concentrated vapor deposition, followed by spin-coating with a diluted PS/acetone solution. Through combinatorial experimentation, we investigated the impact of APTES on the corrosion resistance of the coating system on AA2024-T3. Our findings indicate that a higher surface energy of the APTES primer contributes to better corrosion resistance in the overall coating system. This improvement can be attributed to enhanced wettability achieved by the PS/acetone solution on the cured APTES primer, leading to a more uniform coverage of the dried PS topcoat. Additionally, our research revealed that, in the early stages of exposure to the corrosion solution, a thinner APTES primer enhances protection against corrosion. This effect is attributed to hydrolytic stability mechanisms, and the interactions between hydrolyzation/condensation in soaked APTES and the dissolution of naturally formed aluminum oxide pre-existing in the bare samples. Finally, we observed that an APTES primer subjected to additional heat treatment before topcoating exhibits superior performance in corrosion resistance.

Microplastics have been detected as widespread in an aquatic environment at the microscale, also known as plastic debris. They have continuously increased due to the increase in population, production of synthetic plastics and poor waste management. They are ubiquitous and slowly degrade in soil and water. They are emerging contaminants that have received attention from research communities and public audiences over the last few years. They have high stability and can absorb several other pollutants like heavy metals, pesticides, etc. After entering the environment, they can accumulate and persist for a long time. They can create a serious threat to freshwater ecosystems and human health. These particles can cause physical damage to freshwater organisms. Raman spectroscopy, Fourier-transform infrared spectroscopy, visual identification, density separation, microscopic method, chemical method, thermos-analytical method and hyperspectral imaging method are the commonly known approaches for identification and quantification of microplastics. The noticed concentration of microplastics depends on the analysis method, sampling location and technique. The authors reviewed the sources, health impact, transport and treatment of microplastics in freshwater environments in detail. This study will provide the baseline data for the researchers to do more research on microplastic pollution in the future.

The study seeks to unravel the intricate operational sequence involved in preparing prehistoric pigments for rock art within the Puerto Roque rock art shelter. Sixteen pigment samples, identified as Lab Code Puerto_1 to Puerto_16, were meticulously collected from specific figurative representations. Additionally, three ochre samples (Puerto_17, Puerto_18, and Puerto_19) were sourced from the shelter's soil. Employing a comprehensive multi-analytical approach, including Raman microspectroscopy, X-ray microfluorescence (EDxrf), Fourier-transform Infrared spectroscopy (ATR-FTIR), and Scanning Electron Microscopy (SEM), all nineteen samples underwent thorough analysis. The research unveiled a spectrum of distinct red pigments within the rock art depictions. The sampling strategy for the 16 panels in the Puerto region was meticulously designed to capture the diverse array of rock art manifestations, each presenting unique characteristics that warranted detailed scientific investigation. The selection of these panels was guided by the recognition of various artistic techniques employed in the creation of the paintings, the nuanced hues exhibited, prevalent erosion issues, potential effects of sunlight exposure, and the intriguing hypothesis of distinct chronological periods due to several superimpositions detected. Notably, darker pigments in samples Puerto_02, Puerto_10, and Puerto_19 revealed a composition of hematite with the added presence of carbon. Meanwhile, Puerto_08 exhibited an orange hue primarily composed of goethite. Bright red pigments in samples Puerto_01, Puerto_03, Puerto_05, Puerto_07, Puerto_09, and Puerto_11 were predominantly characterised by hematite, as confirmed by Raman analysis. EDxrf analysis demonstrated an elemental composition akin to the three ochre pieces examined. Furthermore, ATR-FTIR spectroscopy suggested the potential influence of a heating process in enhancing red coloration, corroborated by spectral results from specific samples. This finding aligns with prior research, underscoring the technological sophistication embedded in early artistic endeavours. The detailed understanding of pigment types and their preparation methods provides insights into the artistic choices and technological adeptness of prehistoric communities. Beyond the archaeological implications, these findings contribute significantly to the ongoing conservation efforts of rock art sites. The amalgamation of diverse analytical techniques showcased their efficacy in elucidating the intricate world of pigment preparation. Recognizing the unique microclimates at each rock art site that influence pigment preservation, this localised approach aids informed decisions in safeguarding these invaluable cultural resources. In essence, this study not only unravels the artistic past but also advocates for the sustainable conservation of our shared cultural heritage.

The enzyme-linked immunosorbent assay (ELISA) coupled with surface-enhanced Raman spectroscopy (SERS) detection is a growing area of analytical chemistry emerged as a solution to a problem of sensitivity improvement. SERS-based ELISA with horseradish peroxidase as an enzymatic label, o-phenylenediamine (oPD) substrate, and 2,3-diaminophenazine (DAP) enzymatic product was one of the first examples of such systems. Surprisingly, the full potential of this long-known approach has not been revealed yet. The current study addresses a previously neglected problem of SERS detection stage performance. Using silver nanoparticles and model mixtures of oPD and DAP, the effects of pH, concentration of aggregating agent, and particle surface chloride stabilizer were extensively evaluated. At optimal mildly acidic pH of 3, 0.93 to 1 M citrate buffer, and AgNPs stabilized with 20 mM chloride, at least two orders of magnitude advantages in the detection limits of SERS over colorimetry both for DAP and HRP were demonstrated. We suppose that this improved detection system could become a useful tool for the development of SERS-based ELISA protocols.

The chemical reaction of ion-adsorption type rare earth during in-situ leaching process is accompanied by ion migration and charge movement, making the leaching process electrochemical in nature. The chemical reaction rate plays an important role in the leaching rate of rare earth elements. In this work, electrochemical impedance spectroscopy (EIS) was used to reveal characteristics of electrical resistance alteration and leaching rate of rare earth elements during in-situ leaching. The equivalent circuit model of the leaching process was established, and two critical parameters of solution resistance Rs and charge transfer resistance Rt were analyzed to reflect the electrochemical characteristics. According to the characteristics of electrical resistance alteration, the leaching process was divided into four stages: wetting, reaction, equilibrium, and top water stage. The resistance parameters Rs and Rt decreased first and then increased during the leaching process. The maximum value of Rs was 1330Ω∙cm2 at the end of the top water stage, and the minimum value was 135Ω∙cm2 at the beginning of the equilibrium stage. The maximum value of Rt was 8310Ω∙cm2 at the beginning of the leaching stage, and the minimum value was 21Ω∙cm2 at the end of the reaction stage. Rs and Rt were negatively correlated with the pore size and chemical reaction rate during leaching. With increasing of pore size and reaction rate , the resistance parameter decrease. This study provide a new idea for intelligent monitoring of rare earth ore.

In the last ten years, plasma waste treatment has gained increasing prominence as a technology in response to growing challenges in waste disposal and the recognition of opportunities for generating valuable by-products. The efficiency and outcomes of this process are intricately linked to the characteristics of the plasma involved, such as plasma enthalpy and heat flux. We employed an experimental radio frequency inductively coupled plasma (RF-ICP) torch operating at atmospheric pressure to generate plasma. Utilizing optical emission spectroscopy (OES), we measured plasma parameters, specifically the effective electron temperature (Teff) and plasma density (ne), while varying argon gas flow rates and RF powers. Our investigations revealed that both flow rate and RF power exert significant control over plasma parameters, and we observed an unusual phenomenon within this range of discharge pressures. Consequently, both the plasma's enthalpy and the heat flux it generates are influenced by variations in both flow rate and RF power.

Premature failure and degradation of layers are the main problems for transportation infrastruc-ture. Addressing these issues necessitates implementing structural health monitoring (SHM) for transportation layers. This strategic approach is instrumental in mitigating maintenance expenses, prolonging the operational lifespan, and preventing accidents resulting from abrupt layer col-lapse. To this end, this research investigated the stress/strain and damage detection capabilities of a self-sensing cementitious composite developed for potential utilization in the construction of an intelligent subgrade layer. The prepared self-sensing cementitious composite consisted of 10% cement and hybrid conductive fillers, including multiwalled carbon nanotubes (MWCNTs) and graphene nanoplatelets (GNPs) in sand. Initial findings reveal that the electrical resistivity of the composite is significantly affected by the concentration of MWCNTs/GNPs, with a minimum concentration of more than 0.5% needed to achieve a responsive cementitious composite. More-over, the piezoresistive analysis indicates that an increase in the concentration of MWCNTs/GNPs and stress levels leads to an improvement in the stress/strain sensing perfor-mance. When the self-sensing cementitious composite is subjected to equivalent stress levels, variations in the FCR exhibit an increasing trend with decreasing resilient modulus, stemming from a decrease in stiffness due to the increased concentration of MWCNTs/GNPs. Additionally, the EIS analysis demonstrates a contraction for the Nyquist curves under compressive ramp loading prior to failure, followed by the expansion of these curves postfailure. Scanning electron microscopy (SEM) images visually showcase the bridging effects of MWCNTs and the filling ef-fects of GNPs within the composite structure.

Nerve agents have recently been used in battlefield operations, espionage wars and terrorist attacks. These compounds, like some pesticides, cause organophosphate poisoning. The rapid, non-contact detection of a sarin simulant has been demonstrated at the Diagnostics and Metrology Laboratory of the Italian National Agency for New Technologies, Energy and Sustainable Economic Development using laser photoacoustic spectroscopy, an infrared absorption technology. The first measurements, carried out with an experimental system based on a quantum cascade laser and developed for the assessment of food authenticity in the “fingerprint region”, show that a detection limit of 1 nanolitre is within the reach of the instrument when chemometric analysis is applied.

Sodium-phosphate-based glass-ceramics (GCs) are promising materials for a wide range of applications, including solid-state sodium-ion batteries, microelectronic packaging substrates, and humidity sensors. This study investigates the impact of 24-hour heat-treatments at varying temperatures on Na-Ge-P glass, with a focus on (micro)structural, electrical, and dielectric properties of prepared GCs. Various techniques such as powder X-ray diffraction (PXRD), infrared spectroscopy-attenuated total reflection (IR-ATR), and scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) are employed. With the elevation of heat-treatment temperature, crystallinity progressively rises; at 450 °C, the microstructure retains amorphous traits featuring nanometric grains, whereas at 550 °C, heat-treatment results in fully crystallized structures characterized by square-shaped micron-scale grains of NaPO3. The insight into the evaluation of electrical and dielectric properties is provided by Solid-State Impedance Spectroscopy (SS-IS), revealing a strong correlation with the conditions of controlled crystallization and observed (micro)structure. The glass-ceramic heat-treated at 450 °C achieves the highest DC conductivity of 2.30×10–8 Ω–1 cm–1 at 393 K. As the heat-treatment temperature rises, the crystallization of the NaPO3 phase depletes the glass matrix of mobile Na+ ions, resulting in a reduction in DC conductivity. Dielectric parameters also decrease with rising heat-treatment temperature, with the glass-ceramic heat-treated at 550 °C displaying the lowest permittivity of 19.37 and the dielectric loss of 0.008. This research uncovers the intricate relationship between heat-treatment conditions and material properties, emphasizing that controlled crystallization allows for precise modifications to microstructure and phase composition within remaining glassy phase, ultimately facilitating fine-tuning of material properties.

The ultimate analysis parameters including carbon (C), hydrogen (H), nitrogen (N), and oxygen (O) content in biomass was rarely found to be predicted by nondestructive tests until to date. In this research, we developed partial least squares regression (PLSR) models to predict the ultimate analysis parameters of chip biomass using near infrared (NIR) raw spectra of non-wood and wood samples from fast growing tree and agricultural residue and nine different traditional spectral preprocessing techniques. These techniques include first derivative (sd1), second derivative (sd2), constant offset, standard normal variate (SNV), multiplicative scatter correction (MSC), vector normalization, min-max normalization, mean centering, sd1 + vector normalization, and sd1 + MSC. Additionally, we employed a genetic algorithm (GA), successive projection algorithm (SPA), multi-preprocessing (MP) 5−range, and MP 3−range to develop a PLSR model for rapid prediction. A dataset consisting of 120 chip biomass samples was utilized for model development in which the samples was non-wood samples of 65-67% and wood samples was 33-35%, and the model performance were evaluated and compared. The selection of the optimum performing model was mainly based on criteria such as the coefficient of determination in the prediction set (R2P), root mean square error of the prediction set (RMSEP), and the ratio of prediction to deviation values (RPD). The optimal model for weight percentage (wt.%) of C was obtained using GA−PLSR, yielding R2P, RMSEP, and RPD values of 0.6954, 1.1252 wt.%, and 1.8, respectively. Similarly, for wt.% of O, the most effective model was obtained using the multi-preprocessing PLSR−5 range method with R2P of 0.7150, RMSEP of 1.3088 wt.%, and RPD of 1.9. For wt.% of N, the optimal model was obtained using the MP PLSR−3 range method, resulting in R2P, RMSEP, and RPD values of 0.6073, 0.1008 wt.%, and 1.6, respectively. However, wt.% of H model provided R2P, RMSEP, and RPD values of 0.5162, 0.2322 wt.%, and 1.5, respectively. Notably, the limit of quantification (LOQ) values for C, H, and O were lower than the minimum reference values used during model development, indicating a high level of sensitivity. However, the LOQ for N, exceeded the minimum reference value, implying the samples to be predicted by the model must be in the range of reference range in calibration set. By scatter plot analysis, the effect of combined non-wood and wood spectra of biomass chips on rapid prediction of ultimate analysis parameters using NIR spectroscopy was investigated. To include different species in a model, the species have to be not only in the different values of the constituents to make a wider range for robust model but also they must provide their trend line characteristics in the scatter plot i.e. correlation coefficient (R), slope and intercept (same slope and slope approached to 1 and intercept is same (no gap) and approached zero, high R approached to 1). The effect of the R, slope and intercept to obtain the better optimized model were studied. The results show that the different species affected model performance of each parameter prediction in a different manner and by scatter plot analysis which of these species were affecting the model negatively and how the model could be improved was indicated. This is the first time of the effect is studied by the principle of scatter plot.

The fine structure of Apricot pectin polysaccharides is discussed from both literature and recent work we have performed. Structural characterization utilized 1D and 2D homo- and hetero-nuclear NMR spectroscopy including results from High Performance Size Exclusion Chromatography (HP-SEC), HP Anion-Exchange Chromatography with Pulsed Amperometric Detection (HPAEC-PAD) and FTIR spectroscopy. The purified pectin fraction (F1AP) was found to be composed of D-galacturonic acid, L-rhamnose, D-arabinose and D-galactose in a 1.0 : 0.1 : 0.36 : 0.12 molar ratio, respectively, which is consistent with a pectin RG-1 branched with arabinogalactan side chain polysaccharides, and has a weight-average molecular weight of approximately 1588.2 kDa. The slope of the hydrodynamic radius versus the molar mass was 0.57, indicating the presence of coil conformations. The results from HPAEC-PAD, HPSEC and NMR spectroscopy (1H, 13C, zTOCSY, HSQC, HSQCTOXY and HMBC) demonstrated that F1AP fine fraction F1AP1, derived from original F1AP, has a backbone of (1→4)-linked -D-galacturonic acid and -L-rhamnopyranosyl residues branched with arabinogalactan of multiply glycosidic linkages of T- α-Araf, 3-α-Araf, 5-α-Araf, T- α -Arap, 2- α-Arap side chains, having methyl and acetylated groups, and has high molecular weights (1945 kDa). While the other F1A6 fraction consists predominately of an HG region of pectin polysaccharides with low molecular weights (117.5 kDa), less aggregated. The F1AP1 polysaccharide was highly viscous and its hydrodynamic radius was 64,3 nm. The exponent b of Rh-Mw (conformation plot) was determined to be 0.48, indicating a compact flexible coil conformation of the macromolecule in solution. However, the F1AP6 fraction of apricot fruits belong to backbone of repeats units of [-(1→4)-α-D-GalpA-1]n – both HG and partly contents RG-II polysaccharides, bearing heterosugar sidechains, including α-Ara, α -Rha and β-Gal residues and adopt more stiffness rod like conformation.

Model animals are employed in experiments as substitutes for human tissues and fluids, particularly when accessing particular human samples (such as cerebrospinal fluid, brain, ocular tissues, etc.) poses significant challenges or is ethically constrained. Nonhuman primates are frequently regarded as superior animal models for investigating human ophthalmological diseases. However, despite this recognition, the metabolomic composition of ocular tissues in non-human primates remains predominantly unexplored. In this work, we present a dataset on metabolite concentrations in serum and ocular tissues, including aqueous humor (AH), vitreous humor (VH), and lens, in two Macaque species: crab-eating macaque (Macaca fascicularis) and rhesus macaque (Macaca mulatta). A total of 99 compounds were quantified in 45 samples, shedding light on the previously unknown metabolomic profiles of primate eye tissues.

Metal complexes of mesoionic carbenes (MICs) of the triazolylidene-type and their derivatives have gained increasing attention in the fields of electrocatalysis and photochemistry. The redox-activity of these metal complexes is critical for their applications in both the aforementioned fields. Easy accessibility and modular synthesis open a wide field for the design of ligands, such as bidentate ligands. The combination of a MIC with a pyridyl unit in a bidentate ligand setup increases the π-acceptor properties of the ligands while retaining their strong σ-donor properties. The analogy with the well-established 2,2'-bipyridine ligand allows conclusions to be drawn about the influence of the mesoionic carbene (MIC) moiety in tetracarbonyl group 6 complexes in cyclic voltammetry and (spectro-)electrochemistry (SEC). However, the effects of the different connectivity in pyridyl-MIC ligands remains underexplored. Based on our previous studies, we present here a thorough investigation of the influence of the two different pyridyl-MIC constitutional isomers on the electrochemical and the UV-vis-NIR/IR/EPR spectroelectrochemical properties of group 6 carbonyl complexes. Moreover, the presented complexes were investigated for the electrochemical conversion of CO2 using two different working electrodes, providing a fundamental understanding of the influence of the electrode material in the precatalytic activation.

Particle acceleration, and the thermalisation of energetic particles, are fundamental processes across the universe. Whilst the Sun is an excellent object to study this phenomenon, since it is the most energetic particle accelerator in the Solar System, this phenomenon arises in many other astrophysical objects, such as active galactic nuclei, black holes, neutron stars, gamma ray bursts, solar and stellar coronae, accretion disks and planetary magnetospheres. Observations in the Extreme Ultraviolet (EUV) are essential for these studies but can only be made from space. Current spectrographs operating in the EUV use an entrance slit and cover the required field of view using a scanning mechanism. This results in a relatively slow image cadence on the order of minutes to capture inherently rapid and transient processes, and/or in the spectrograph slit `missing the action'. The application of image slicers for EUV integral field spectrographs is therefore revolutionary. The development of this technology will enable observations of EUV spectra from an entire 2D field of view in seconds, over two orders of magnitude faster than what is currently possible. The Spectral Imaging of the Solar Atmosphere (SISA) instrument is the first integral field spectrograph proposed for observations at 180A combining the image slicer technology and curved diffraction gratings in a highly efficient and compact layout, while providing important spectroscopic diagnostics for characterization of solar coronal and flare plasmas. SISA's characteristics, main challenges and the on-going activities to enable the image slicer technology for EUV applications are presented in this paper.

Wood and plants are made of fibers which contain, in addition to cellulose, lignin and hemicelluloses. Xylan and galactoglucomannan are the dominant secondary cell wall hemicelluloses. Besides fibers’ traditional use in textile and paper industries, the fibers are important materials for the biorefinery industry and for developing biocomposites. In the former context, renewable lignocellulosic biomass is used as feedstock to sustainably produce fuels, chemicals, and polymers. On the other hand, in relation to composites, cellulose fibers which are anisotropic play an important reinforcing role in fiber-matrix interactions. However, for these and other applications, structural analysis of the fibers is important and among many analytical techniques used, Raman spectroscopy is one of the methods. However, given the structural similarity between hemicelluloses and cellulose, many of their Raman contributions overlap. While the wavenumber positions corresponding to the Raman contributions of cellulose, hemicelluloses, and lignin are known, extent to which overlapping features of hemicellulose modify the spectrum of cellulose is not yet fully understood. The present investigation focuses on this aspect by using xylan as one of the hemicelluloses. As a model system, samples with various mass ratios of microcrystalline cellulose (cotton) and xylan (birch wood) were prepared and analyzed by FT-Raman spectroscopy. The findings were then applied to interpret Raman spectra of selected xylan containing delignified plant fibers. It is hoped that insights gained would lead to better interpretation of the spectra of natural and treated plant materials.

The interaction between O2 and reduced ceria nanocubes was mainly investigated by FTIR spectroscopy. Nanorods and nanoparticles were also studied for comparison. Adsorption of O2 at 100 K on unreduced ceria produces only O2 molecularly adsorbed on Ce4+ sites. The Ce3+ cations in H2-reduced ceria were monitored by the 2F5/2 → 2F7/2 electronic transition band at 2133-2095 cm-1. This band possesses a fine structure well resolved at 100 K. The positions of the individual components depend on the Ce3+ environment, including the presence of nearby species such as OH groups. Even at 100 K, the interaction of O2 with reduced ceria leads to fast oxidation of about half of the Ce3+ cations, including all Ce3+ sites bound to OH groups and carbonates, and the simultaneous formation of superoxo (O2) and peroxo (O22) species. The remaining fraction of Ce3+ sites disappears upon heating up to 348 K. At higher temperatures, the peroxo species decompose directly, yielding lattice oxygen. Superoxides are converted to hydroperoxides, which then decompose to terminal OH groups. Reduced samples evacuated at T < 773 K contain sorbed H2. Part of this hydrogen is also fast oxidized to H2O even at 100 K.

Polyanilines are a class of conductive polymers that have attracted significant interest in the field of organic electronics due to their unique properties. In this article, the fluorescence spectroscopy and photovoltaic properties of polyaniline-based thin films and copolymers are investigated. The study focuses on understanding the relationship between the composition and structure of polyanilines and their optical and electrical properties. The article discusses the results of experiments on the photoluminescent properties of S1-S9 copolymers in a DMSO solution and of thin-film photoresistors based on polyanilines. The findings reveal that the photovoltaic properties of the thin films depend on the conditions of their fabrication and their surface morphology. The solubility of polyanilines is excellent, making the production of electronic components compatible with modern printing technologies in organic electronics. The work also points out that the photoconductivity of polyanilines can be improved by incorporation of additional molecular groups into the polymer matrix. Overall, this study sheds light on the potential of polyanilines as promising materials for organic electronics and provides insights into how their properties can be optimized for specific applications.

High-throughput research on bimetallic nanoparticles brought a vast overview of their characteristics and catalytic activities.¹ However, traditional bimetallic nano-allloy quantification methods serving catalyst preparations are not suitable for the fast and robust data output of high-throughput experiments. Hence, this work designed and validated a more fast, more neat, and reliable quantitative analysis using X-ray fluorescence spectroscopy for bimetallic nanoparticles synthesized by high-throughput setups. The results demonstrated this method to be accurate with high precision. Furthermore, the agreement to qualitative results from an energy-dispersive X-ray spectrometer equiped on a scanning electron microscope provided an option to quantify a bimetallic nano-alloy by just analyzing one of the two composing elements. Thus, this method is proved to be highly compatible with high-throughput experiments.

The structural evolution and phase composition of multi-block thermoplastic polyurethanes, with different nature of the soft segments based on poly(butylene adipate) (PBA), were analyzed during in-situ thermal treatments. A combination of synchrotron small- and wide-angle X-ray scattering, differential scanning calorimetry, thermogravimetric analysis, and FTIR spectroscopy was used to determine the influence of macrodiol nature and crystallization conditions on the polymorphic behavior of PBA. Using a new synthesis scheme, a relatively high degree of crystallinity for urethane blocks was achieved, which depends on the diisocyanate type in the structure of the soft segment. The hard segment domains impose geometrical constraints on PBA, thereby altering its crystallization process compared to the neat oligomer. Thus, crystallization after annealing at a low temperature (80 °C) is fast, predominantly yielding a metastable β-phase. When heated to 180 °C, which is higher than the hard-segment melting temperature, a phase-separated structure is observed. Subsequent crystallization is slower, favoring the formation of the stable α-PBA modification. The phase separation can be observed even after the hard block melting. A notably slow crystallization from an isotropic melt was documented after the disruption of phase separation at 230 °C.

We report a detailed investigation of vibrational modes, structure, and dynamics of glutathione (GSH) solutions using ultrasonic relaxation spectroscopy, FT-IR vibrational spectroscopy and electronic absorption measurements. The experimental data were analyzed in view of density functional theory (DFT) and molecular docking calculations. Three distinct Debye-type relaxation processes are resolved in the acoustic spectra, which are assigned to conformational changes between GSH conformers, self-association of GSH, and protonation processes. The standard volume changes for each process were estimated both experimentally and theoretically revealing a close resemblance among them. The higher the effect of the relaxation process in the structure, the greater the induced volume changes. From the temperature dependence of specific acoustic parameters, the thermodynamic characteristics of each process were determined. The experimental FT-IR spectra were compared with the corresponding theoretically predicted vibrational spectra revealing that the GSH dimers and extended conformers dominate the structure of GSH solutions in the high concentration region. The absorption spectra in the ultraviolet region confirmed the gradual aggregation mechanism that takes place in the aqueous GSH solutions. The results of the present study were discussed and analyzed in the framework of the current phenomenological status of the field.

Point-contact spectroscopy has been performed on bulk samples of electron-doped high temperature superconductor Nd2-xCexCuO4-. The samples were characterized by X-ray diffraction and scanning electron microscopy equipped with a wavelength dispersive spectrometer and an electron backscatter diffraction detector. The samples with a Ce content x = 0.15, show the absence of spurious phases and randomly oriented grains, most of which have dimensions of approximately 220 µm2. The low-bias spectra in the tunnelling regime, i.e., high transparency interface, exhibit a gap feature at about ±5 meV and no zero-bias conductance, consistent with the most literature data on oriented samples. The high-bias conductance has also been measured in order to obtain information on the properties of the barrier. A V-shape has been in some cases observed, instead of the parabolic behavior expected for tunnel junctions.

Vanadium(IV) chalcogenide materials are of increasing interest for use in catalysis and energy conversion-related applications. Since no ternary compounds are yet known in the V–Se–Te system, we studied ternary VwSeyTe2–y (w = 1.10, 1.13; y = 0.42, 0.72) phases crystallizing in space group P3m1 (no. 164). Two single-crystal specimens with differing compositions of a solid solution were obtained using the ceramic method. All products were characterized by either single-crystal or powder X-ray diffraction. The lattice parameters increase with rising tellurium content in accordance to the larger ionic radius of the tellurium anion compared to selenium. The chemical compositions were confirmed by energy dispersive X-ray spectroscopy. Further, magnetic measurements revealed mostly antiferromagnetic properties. Simultaneous differential scanning calorimetry/thermogravimetric analyses in nitrogen atmosphere showed endothermic decomposition accompanied by the formation of VN. The results of this work can serve as a basis for the synthesis of new phases in the V–Se–Te and related vanadium chalcogenide systems.

Electrochemical Impedance Spectroscopy techniques were applied in this work to 9 lead-acid battery prototypes fabricated industrially, divided on three type/technology packages. Frequency dependent impedance changes were interpreted during successive charge/discharge cycles on two distinct stages: 1) immediately after fabrication; and 2) after a controlled aging procedure to 50% Depth of Discharge, following industrial standards. By investigating their State of Health behaviour vs electrical response, three methods were employed, namely the (Q-Q0) total charge analysis, the decay values of Constant Phase Element in the equivalent Randles circuits, and the resonance frequency of the circuit. A direct correlation has been found for prediction of the best performant batteries in each package, thus allowing a qualitative analysis capable to provide the decay of the battery State of Health. We emphasized which parameters are directly connected with their lifetime performance in both stages, and by consequence, which type/technology battery prototype emphasize the best performance. Based on this methodology, the industrial producers can further establish the quality of the novel batteries in terms of performance vs lifespan, allowing them to validate the novel technological innovations implemented in the current prototypes.

The models of partial least squares (PLS) regression and artificial neural network (ANN) for evaluation of texture properties of cooked germinated brown rice (GBR) using the Fourier transform near infrared (NIR) spectra of uncooked whole grain combined with data separation methods, spectral pretreatment methods were investigated in this study. The ANN was outperformed in evaluation of hardness by back extrusion test of cooked GBR using the smoothing combined with standard normal variate pretreated NIR spectra in the range of 12,500-4,000 cm−1 of 188 whole grain samples where the calibration sample set was separated from prediction set by Kennard-Stone method where the best ANN model for hardness from hidden layers of 25 and 8 iteration time provided R2, r2, RMSEC, RMSEP, Bias and RPD of 0.9987, 0.9447, 0.1021 N, 0.7699 N, 0.0216 N and 4.3 respectively. The PLS regression of 64 sample KDML GBR group and 64 sample various variety GBR group, provided models for the hardness of the former and the toughness of the latter which developed by using 7506−5446.3, 4605.4−4242.9 cm−1 which included the amylose vibration band of 6834 cm−1 while toughness model was from 9403.8-6094.3 cm−1 where included 6834 and 8316 cm−1 vibration bands of amylose which influenced the texture of cooked rice. The PLS regression models for hardness and toughness were with the r2 of 0.85 and 0.82, and the RPD of 2.9 and 2.4, respectively. The ANN model for hardness of cooked GBR should be implemented to the practical use in GBR production factories for the quality assurance and further updating using more samples and several brands to obtain the robust models.

Blood testing is a crucial application in the field of clinical studies for disease diagnosis and screening, biomarkers discovery, organ function assessment, and personalized medication. Therefore, it is of utmost importance to collect precise data in a short time. In this study, we utilized Raman spectroscopy to analyze blood samples and extracted comprehensive biological information, including the primary components and compositions present in the blood. We conducted short-wavelength (532 nm green light) Raman scattering spectroscopy on blood samples, plasma, and serum, and subsequently analyzed the biological characteristics detected in each sample type. Our results indicated that whole blood had high hemoglobin content, which suggests that hemoglobin is a major component of blood. The characteristic Raman peaks of hemoglobin were observed at 690, 989, 1015, 1182, 1233, 1315, and 1562–1649 cm−1. Analysis of plasma and serum samples indicated the presence of β-carotene, which exhibited characteristic peaks at 1013, 1172, and 1526 cm−1. Additionally, in the field of medical blood testing, the novel 3D Silicon micro-channel device technology holds immense potential. It can serve as a substrate and helps to detect various diseases and biomarkers, providing real-time data to help medical professionals and patients better understand their health conditions. Changes in biological data collected in this manner could potentially be used to diagnose clinical diseases.

Chemical substances such us CS-gas used in military operations are chemical compounds that present a series of peculiarities that affect the ecosystem by disrupting the ecological balance. This study evaluated the toxicological character of O-chlorobenzylidenemalonitrile (CBM), (substance present in CS-gas) on the algae Cholrella sp. and analyzed the toxicity limit and the response of the microorganism to the oxidative stress caused by this substance. In order to under-stand the toxicological mechanisms of CBM on algal culture, a series of parameters were analyzed such as: the cell growth curve, the average specific growth rate (µ), percent inhibition in yield(I%), dry cell weight (DCW), percent viability and productivity of algal biomass flocculation activity(FA), change in oxygen production. The content of chlorophyll pigments, was characterized by Fourier transform infrared spectroscopy (FTIR) fluorescence spectroscopy and analysis of the surface structure of algal cells by SEM spectroscopy. This study aims to provide fundamental data for understanding the toxicity of CBM to aquatic organisms and provides a basis for assessing the potential for impact on aquatic ecosystems. The results obtained could be taken into account in the management of the decontamination of the affected areas.

Two-dimensional (2D) semiconductors like Transitional Metal Dichalcogenides (TMDCs) have attracted strong research interest in the last decade. Unlike the more celebrated 2D material graphene, TMDCs like molybdenum disulfide(MoS₂) possess bandgap. The number of layers critically depends on the band structure of MoS₂. For example, it is indirect for bulk MoS₂. However, it becomes direct bandgap material for a monolayer MoS₂. Monolayer MoS₂, therefore, becomes an important material for photoelectronic devices. An essential aspect of such devices is the metal-semiconductor junction. Metal-TMDC junction is, therefore, a well-studied interface due to its importance for 2D materials-based photoelectronic devices. Most importantly, it can be flexible, stretchable to it’s length, and bent to a large angle. We used metals like Au and Al to interface with TMDs like MoS₂. We used silicon and PDMS as substrates. So, we have to focus on investigating the relative properties of various TMDCs. We see change in band energy and vibrational modes via Photoluminiscence and Raman spectroscopy as shown in the article. However, certain aspects are yet to be explored, for example, how this interface behaves in the presence of strain.

Polyvinyl Alcohol (PVA)/ Graphene Quantum Dots (GQDs) polymer nanocomposite films have been prepared, and the relationship between their structural, thermal and nanoscale morphologi-cal properties, and their photoluminescent response, has been investigated. Although according to X-ray Diffraction (XRD), Fourier-Transform Infrared Spectroscopy (FT-IR) and Differential Thermal Analysis (DTA) the incorporation of GQDs does not significantly affect the percentage crystallinity of the PVA matrix, for a range of added GQD concentrations, Atomic Force Micros-copy (AFM) showed the formation of islands with apparent crystalline morphology on the surface of the PVA/GQD films, with GQD presumably acting as a nucleating agent for island growth. The incorporation of GQD also led to the formation of characteristic surface pores with increased stiffness and frictional contrast, according to Ultrasonic Force Microscopy (UFM) and Frictional Force Microscopy (FFM) data. The photoluminescence (PL) spectra of the films were found to de-pend both on the amount of GQD incorporated and on the film morphology. For GQD loads > 1,2wt%, a GQD-related band was observed at ~ 1650 cm-1 in FT-IR, along with an increase in the PL band at lower energy. For a load of ~2wt% GQD, the surface morphology was characterized by extended cluster aggregates with lower stiffness and friction than the surrounding matrix, and the PL signal decreased.

Reactions of picolinamides with 1,3-propanesultone in methanol followed by the treatment with ketones led to a series of previously unknown chemical transformations, yielding first pyridinium salts (2a-f) with a protonated endocyclic nitrogen atom and then heterocyclic salts (3a-j) containing a 4-imidazoline ring. The structures of intermediate and final products were determined by IR and 1H, 13C NMR spectroscopy and X-ray study. The effects of the ketone and alcohol structures on the product yield were studied by quantum-chemical calculations. The stability of salts 3a-j towards hydrolysis and alcoholysis makes them excellent candidates for the search of new types of biologically active compounds.

A single-crystal of ytterbium-doped “mixed” yttrium-lutetium aluminium garnet with a stoichiometric composition of (Y0.601Lu0.233Yb0.166)3Al5O12 was grown by the Czochralski method and its structure, vibronic, spectroscopic and laser properties were studied. The stimulated-emission cross-section for Yb3+ ions was maximized to 2.53×10-20 cm2 at 1031 nm, the emission bandwidth is ~8 nm and the reabsorption-free luminescence lifetime of the 2F5/2 state is 1.063 ms. Pumped at 941 nm, the Yb-laser generated a maximum output power of 1.04 W at 1.03 and 1.05 μm with a high slope efficiency of 76.4% and a laser threshold of 76 mW. A continuous wavelength tuning over a range of 51.6 nm (1026.4 - 1078.0 nm) was also achieved. Power scaling is achieved using a 969 nm-diode pumped microchip cavity. A maximum output power of ~9 W is obtained at 1.05 μm with a slope efficiency of 76% and with an almost circular laser beam profile.

Raman scattering has been employed to study in detail the concentration dependence of the vibrational modes for the hexamethylenetetramine (HMTA) aqueous solutions. The formation of protonated and/or aggregated species has been clarified by comparing the experimental with the theoretically predicted vibrational spectra by means of quantum mechanical calculations. The analysis has shown that the vibrational modes of the solutions arise from a contribution of the vibrational modes of the HMTA self-aggregates and hetero-aggregates of HMTA with water molecules that are formed in the low- and intermediate-concentration region, respectively. The protonation of HMTA is ruled out due to the large differences between the experimental and the theoretically calculated spectra of the protonated molecules of HTMA in the fingerprint region. In the low-concentration solutions, the hetero-aggregation reaction of HMTA with water is the dominant mechanism, while at higher concentrations a self-aggregation mechanism occurs. Ultrasonic absorption and velocity measurements were carried out for hexamethylenetetramine aqueous solutions. The acoustic spectra reveal the presence of only one single Debye-type relaxation process that is assigned to the aggregation mechanism of HMTA. The sound absorption data follow two different dependencies on HMTA mole fraction. The crossover 0.018 mole fraction signifies two separate regions with distinct structural characteristics. The relaxation mechanism observed in dilute solutions is attributed to hetero-association of HMTA with water molecules, while at higher concentrations the observed relaxation process is assigned to the self-association reaction of HMTA molecules. This structural transformation is also reflected in several physicochemical properties of the system, including the kinematic viscosity, the mass density, the sound speed, and the adiabatic compressibility of the HMTA aqueous solutions. The combination of vibrational and acoustic spectroscopies with molecular orbital calculations allowed us to disentangle the underlying processes and to elucidate the observed relaxation mechanism in the HMTA aqueous solutions.

Magnetic ceramic nanoparticles system xTm2O3-(1-x)alpha-Fe2O3 (x=0.1 and 0.5) was synthesized by mechanochemical activation starting from hematite and thulium oxide precursors and characterized by transmission Mӧssbauer spectroscopy. The Mӧssbauer spectra were typically analyzed considering 1-3 sextets, corresponding to hematite (with and without thulium doping) and a doublet, representing thulium iron perovskite (thulium orthoferrite). The magnetic hyperfine fields (BHF) and doublet abundance were studied as function of the ball milling time (BMT) for both molar concentrations employed. The results are consistent with the formation of solid solutions in the investigated system. The mixed-oxide nanoparticle system synthesized may have important applications in displays, sensors and photovoltaics, and is paving the way for emerging utilizations related to mechanically flexible electronics.

Valence tautomerism (VT) may occur if a molecule contains two chemically different redox-active units, which differ only slightly in their intrinsic redox potential. Herein, we present three new half-sandwich complexes [(η6arene)Cr(CO)2L]+ with a triarylmethylium substituent appended to the -coordinated arene and different coligands L (L = CO, P(OPh)3, PPh3, 1+  3+) at the chromium atom. Ligand substitution purposefully lowers the half-wave potential for chromium oxidation and thereby the redox potential difference towards tritylium reduction. For the PPh3-substituted complex 3+, cyclic voltammetry measurements indicate that chromium oxidation and tritylium reduction occur at (almost) the same potential. This renders the diamagnetic Cr(0)C6H4CAr2+ form 3+ and its paramagnetic diradical Cr(I)+•C6H4CAr2• valence tautomer 3+•• energetically nearly degenerate. Temperature-dependent IR spectroscopy shows indeed two pairs of carbonyl bands assignable to a Cr(0) and a Cr(I) species, coexisting in a T-dependent equilibrium with almost equal quantities for both at 70 °C. The diradical form with one unpaired spin at the trityl unit engages in a monomer ⇌ dimer equilibrium, which was investigated by means of quantitative EPR spectroscopy. The diradical species 1+••  3+•• were found to be highly reactive, leading to several identified reaction products, which presumably result from hydrogen atom abstraction by the trityl C atom, e.g. from the solvent.

The (benzylthio)acetic acid (HBTA) and some aminopyrimidines, namely 2-aminopyrimidine (2-AP), 5-aminopyrimidine (5-AP), 2-amino-4,6-dimethylpyrimidine (2-A-4,6-DMP) and 2,4,6-triaminopyrimidine (2,4,6-TAP), were successfully embodied as structural units into the construction of a total of four novel supramolecular organic frameworks. The received crystalline solids were inspected by single crystal X-ray diffraction (SC XRD) in order to obtain insight into the structural and supramolecular facets. The SOFs deriving from 2-AP, 5-AP as well as 2-A-4,6-DMP crystallize in the form of true co-crystals (1-3), while the one originating from 2,4,6-TAP crystallizes as salt solvate (4). The SC XRD results indicated the different contents of structural residues present in the asymmetric units of the crystals 1-4 despite the using the same molar ratio of molecular co-formers in each case. The molecular structures of co-crystals 1-3 consist of either one neutral residue of each starting components (1 and 3) or a half nonionized residue of aminopyrimidine ingredient and one neutral residue of acidic specie (2). The asymmetric unit of salt solvate 4 is composed of two ionized residues of each co-former (two 2,4,6-TAP+ cations and two BTA- anions) and one MeOH solvent molecule. The most extensive H-bonding network is observed in the crystal structure of salt solvate 4. The relevant molecular ingredients in co-crystals 1-3 are mainly hold together by the neutral Ocarboxylic–H···Npyrimidine and Namine–H···Ocarboxylic H-bonds. In the case of aggregate 4, the corresponding ionic residues are predominantly sustained by the charged-assisted Npyrimidinium–H···Ocarboxylate and Namine–H···Ocarboxylate hydrogen interactions. The MeOH solvent incorporated into the crystal lattice of adduct 4 is also involved in H-bonding by simultaneously serving as the single donor in OMeOH–H···S and the single acceptor in Namine–H···OMeOH H-bonds afforded the structural diversity within the 2,4,6-TAP+ cations and BTA- anions. Other weaker sets of additional non-covalent contacts existing in the crystal structures of analyzed conglomerates are involved in the self-assembly, stabilization and expansion of total supramolecular organic frameworks. The fact of the formation of non-covalent bonded supramolecular organic frameworks in question is also reflected in corresponding results obtained through elemental analysis (EA), Fourier transform infrared spectroscopy (FT−IR) and thermal analysis (TG/DSC).

On a global scale, food safety and security aspects entail to be considered throughout the farm to fork continuum considering food’s supply chain. Generally, the agri-food system is a multiplex network of interconnected features and processes, with a hard predictive rate, where maintaining the food’s safety is an indispensable element and is part of the Sustainable Development Goals (SDGs). It has led the scientific community to develop advanced applied analytical methods, such as Machine learning (ML) and Deep Learning (DL) techniques applied for assessing foodborne diseases. The main objective of this paper is to contribute to the development of the consensus version of ongoing research about the application of artificial intelligence tools in the domain of food-crops safety from an analytical point of view. Writing a comprehensive review for a more specific topic can also be challenging, especially when searching within the literature. To our knowledge, this review is the first to address this issue. This work consisted of conducting a unique and exhaustive study of the literature, using our TriScope Keywords-based Synthesis methodology. All available literature related to our topic was investigated according to our criteria of Inclusion and Exclusion. The final count of data papers was subject to deep reading and analysis to extract the necessary information to answer our research questions. Although many studies have been conducted, limited attention has been paid to outlining the applications of AI tools combined with analytical strategies for crop-based food safety specifically.

Developing a biomolecular detection method that minimizes photodamage while maintaining an environment suitable for biological constituents to maintain their physiological state is expected to drive new diagnostic and mechanistic breakthroughs. In addition, ultra-sensitive diagnostic platforms are needed for rapid and point-of-care technologies for various diseases. Considering this, surface-enhanced Raman scattering (SERS) is proposed as a non-destructive and sensitive approach to address the limitations of fluorescence, electrochemical, and other optical detection techniques. However, to advance the applications of SERS, novel approaches to enhance the signal of substrate materials are needed to improve reproducibility and costs associated with manu-facture and scale-up. Due to their physical properties and synthesis, semiconductor-based nanostructures have gained increasing recognition as SERS substrates; however, low signal en-hancements have offset their widespread adoption. To address this limitation and assess the po-tential for use in biological applications, zinc oxide (ZnO) was coated with different concentra-tions (0.01-0.1 M) of gold (Au) precursor. When crystal violet (CV) was used as a model target with the synthesized substrates, the highest enhancement was obtained with ZnO coated with 0.05 M Au precursor. This substrate was subsequently applied to differentiate exosomes derived from three cell types to provide insight into their molecular diversity. We anticipate this work will serve as a platform for colloidal hybrid SERS substrates in future bio-sensing applications.

N-maleimide-derivatized phospholipids are often used to facilitate protein anchoring to membranes. In autophagy studies, this is applied to the covalent binding of Atg8, an autophagy protein, to a phosphatidylethanolamine (PE) in the nascent autophagosome. However, the question remains on how closely the N-maleimide PE derivative (PE-mal) mimicks the native PE in the bilayer. In the present paper, spectroscopic and calorimetric techniques have been applied to vesicles containing either PE or PE-mal (together with other phospholipids) to compare the properties of the native and derivatized forms of PE. According to differential scanning calorimetry, and to infrared spectroscopy, the presence of PE-mal did not perturb the fatty acyl chains in the bilayer. Fluorescence spectroscopy and microscopy showed that PE-mal did not alter bilayer permeability either. However, fluorescence emission polarization of Laurdan and DPH probes indicated an increased order, or decreased fluidity, in the bilayers containing PE-mal. In addition, infrared spectral data from the phospholipid phosphate region revealed a PE-mal-induced conformational change of the polar heads, accompanied by an increased hydration. Globally considered, the results suggest that PE-mal would be a reasonable substitute for PE in model membranes containing reconstituted proteins.

The extent of micro-phase separation in polyurethanes (PUs) depended on the molecular weight, the chemical nature and the structure of the polyol/soft segments. Balanced properties in PUs were obtained by using blends of polyols during synthesis. No previous studies have been devoted to understand the interactions between the soft segments that affect the properties of the PUs. In this study, different blends of two polyols of different nature (polyester – PE - and polycarbonate diol - CD) and similar molecular weight were prepared and their structural, thermal, surface, viscoelastic and self-adhesion properties were assessed. PE showed larger number of structural repeating units and higher number of polar groups than CD, but the carbonate-carbonate interactions in CD were stronger than the ester-ester interactions in PE. The blending of CD and PE imparted synergic structural properties, particularly in the ones containing less than 50 % PE, they were associated to the disrupt of carbonate-carbonate interactions in CD and the formation of new ester-carbonate and hydroxyl-carbonate interactions. Therefore, higher glass transition temperatures, a new diffraction peak at 2θ = 24°, one additional thermal degradation at 426-436 °C, and less steeper decline of the storage moduli to lower temperature were found in CD+PE blends with less than 50 wt.% PE. Furthermore, the different interactions between the polyol chains in the blends were also evidenced on their surface properties, and all CD+PE blends showed self-adhesion property which seemed related to the existence of ester-carbonate and carbonate-carbonate interactions.

Digitization of tissues allows examination of tissue morphologies in new ways enabling patient stratification for effective treatments. Current slide-scanning techniques capture the visible details of the tissue as whole-slide images and digitally record them in the form of spatial and color relationships. Specialized experimental techniques like Dielectric spectroscopy can also be used to investigate a tissue’s response to an applied electric field. This study used the dielectric spectroscopy method to collect the complex permittivity of healthy and abnormal biopsy tissues excised during gastroenterology procedures. A single pole Cole-Cole model is fitted to the measurements dataset to extract the parameters which are used as features in machine learning binary classification models. The models achieved high accuracy, demonstrating the feasibility of using microwave-based spectroscopy measurements to create a digital dielectric fingerprint for tissues under investigation.

Wirobond C is a commercial dental casting alloy suitable for the fabrication of crowns, bridges as well as metal-ceramic restorations. This work aims with the study of the effect of ready-to-use Listerine® and Meridol® mouthwashes and sodium fluoride on corrosion resistance of the CoCrMo dental alloy to electrochemical corrosion in artificial saliva at 37 °C. SEM, EDS, SKP, and microhardness investigations were carried out to characterize the material under study. In vitro corrosion resistance of the CoCrMo alloy was conducted by the open circuit potential method, electrochemical impedance spectroscopy, and anodic polarization curves. The presence of Co 59.8(8) wt.%, Cr 31.5(4) wt.%, and Mo 8.8(6) wt.% was confirmed. The CoCrMo alloy was characterized by Vickers microhardness of 445(31) µHV0.3. Based on EIS data, the capacitive behavior and high corrosion resistance of CoCrMo alloy was revealed. The kinetics of pitting corrosion in the artificial saliva was lower after the modification with NaF and Listerine and Meridol mouthwashes. The potentiodynamic characteristics revealed the passive behavior of CoCrMo alloy in all solutions. Based on the SKP measurements of the CoCrMo alloy after corrosion tests, the effect of artificial saliva modification on electronic properties of Bego Wirobond C dental alloy was found.

Currently, synthetic diamonds are finding new applications. Quantum devices can be created based on diamond plates with the desired concentration of defects in the structure of the crystal lattice. NV color centers can be used in quantum applications by irradiating plates with high-energy particles, followed by annealing at temperatures above 800°C to develop the spin-optical properties of the centers Diamond plates are subjected to electron irradiation and much less often to proton irradiation. As a result, synthetic diamond plates with NV centers ob-tained by proton irradiation are less studied, although proton irradiation makes it possible to obtain a layered structure of NV centers. In this work, single crystal diamond plates irradiated with protons were studied using polarization microscopy, IR spectroscopy and ODMR spectros-copy. It is shown that when creating NV centers, the distribution and concentration of C – defects in the sample, as well as mechanical stresses before and after irradiation (with subsequent an-nealing), can differ significantly from each other.