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Introduction The U.S. Military members experiencing combat-related injuries have a higher chance of developing infections by multidrug-resistant (MDR) bacteria at admission to military hospitals. MDR wound infections result in higher amputation rates and greater risks for subsequent or chronic infections that require readmission or extended stay in the hospital. Currently, there is no FDA-clear, deployable early diagnostic system for suitable field use. We are reporting our efforts to improve a previously developed Rapid Label-free Pathogen Identification (RAPID) system to detect viable MDR bacteria in wound infections and perform antibiotic susceptibility testing (AST). Specifically, we added multiplex and automation capability and significantly simplified the sample preparation process. A functional prototype of the improved system was built, and its performance was validated using a variety of lab-prepared spiked samples and real-world samples. Materials and Methods To access the baseline performance of the improved RAPID system in detecting bacteria presence, we selected 17 isolates, most of them from blood or wound infections, and prepared mono-strain spiked samples at 104 to 106 cfu/mL concentration. These samples were processed and analyzed by the RAPID system. To demonstrate the AST capability of the system, we selected 6 strains against 6 different antibiotics and compared the results from the system with the ones from the gold standard method. To validate the system's performance with real-world samples, we first investigated its performance on 3 swab samples from epicutaneous methicillin-resistant Staphylococcus aureus –exposed mouse model. The AST results from our system were compared with the ones from the gold standard method. All animal experiments were approved by the Johns Hopkins University Animal Care and Use Committee (Protocol No. MO21M378). Then, we obtained swab samples from 7 atopic dermatitis (AD) patients and compared our AST results with the ones from the gold standard method. The human subject protocol was approved by the Johns Hopkins Medicines Institutional Review Boards (Study No. CR00043438/IRB00307926) and by USAMRDC (Proposal Log Number/Study Number 20000251). Results High-quality data were obtained from the spiked samples of all 17 strains. A quantitative analysis model built using these data achieved 94% accuracy in predicting the species ID in 8 unknown samples. The AST results on the spiked samples had shown 100% matching with the gold standard method. Our system successfully detects the presence/absence of viable bacteria in all 3 mouse and 7 AD patient swab samples. Our system shows 100% and 85.7% (6 out of 7) accuracy when compared to the oxacillin susceptibility testing results for the mouse and the AD patient swabs, respectively. Conclusions Our system has achieved excellent performance in detecting viable bacteria presence and in performing AST in a multiplex, automated, and easy-to-operate manner, on both lab-prepared and real samples. Our results have shown a path forward to a rapid (sample-to-answer time ≤3 hours), accurate, sensitive, species-specific, and portable system to detect the presence of MDR combat-related wound infections in the field environment. Our future efforts involve ruggedizing the RAPID system and evaluating performance under relevant environmental conditions. [ABSTRACT FROM AUTHOR]

AbstractA critical limitation in developing portable Fourier transform-infrared (FTIR) stand-off chemical detectors is the library optimization which reduces the number of false alarms and maintains the performance. Ideally, a library should be established through high-resolution (0.5 cm−1) FTIR spectroscopy in the laboratory. However, due to the weight requirements of a portable FTIR stand-off detector, its optical system and mirror-moving range have limitations. Consequently, most portable FTIR stand-off detectors have been developed with a low resolution of approximately 4 to 16 cm−1. In this study, we developed a portable FTIR stand-off detector with a dual library of SF6. Moreover, we investigated its detection efficiency depending on the single library condition through realistic long-range (3 km) SF6 spectra in a field test. [ABSTRACT FROM AUTHOR]

Direct-on-Filter (DoF) analysis of respirable crystalline silica (RCS) by Fourier Transform Infrared (FTIR) spectroscopy is a useful tool for assessing exposure risks. With the RCS exposure limits becoming lower, it is important to characterize and reduce measurement uncertainties. This study systematically evaluated two filter types (i.e., polyvinyl chloride [PVC] and polytetrafluoroethylene [PTFE]) for RCS measurements by DoF FTIR spectroscopy, including the filter-to-filter and day-to-day variability of blank filter FTIR reference spectra, particle deposition patterns, filtration efficiencies, and pressure drops. For PVC filters sampled at a flow rate of 2.5 L/min for 8 h, the RCS limit of detection (LOD) was 7.4 μg/m3 when a designated laboratory reference filter was used to correct the absorption by the filter media. When the spectrum of the pre-sample filter (blank filter before dust sampling) was used for correction, the LOD could be up to 5.9 μg/m3. The PVC absorption increased linearly with reference filter mass, providing a means to correct the absorption differences between the pre-sample and reference filters. For PTFE, the LODs were 12 and 1.2 μg/m3 when a designated laboratory blank or the pre-sample filter spectrum was used for blank correction, respectively, indicating that using the pre-sample blank spectrum will reduce RCS quantification uncertainty. Both filter types exhibited a consistent radially symmetric deposition pattern when particles were collected using 3-piece cassettes, indicating that RCS can be quantified from a single measurement at the filter center. The most penetrating aerodynamic diameters were around 0.1 µm with filtration efficiencies ≥ 98.8% across the measured particle size range with low-pressure drops (0.2–0.3 kPa) at a flow rate of 2.5 L/min. This study concludes that either the PVC or the PTFE filters are suitable for RCS analysis by DoF FTIR, but proper methods are needed to account for the variability of blank absorption among different filters. [ABSTRACT FROM AUTHOR]

We present new aspects of erbium- or ytterbium-doped pure gadolinium oxide (Gd2O3:Er3+/Yb3+) as a suitable candidate for drug delivery and magnetic resonance (MR) applications. The samples were prepared using the conventional sol–gel synthesis technique. The structural studies revealed that the prepared sample was monophased and crystallizes in a cubic structure. FTIR measurements confirmed the creation of Gd2O3:Er3+/Yb3+ phosphor. SEM micrographs clearly indicated that the particles crystallized in uniform shape, exhibiting nano-rod formation, with the particle size ranging from 55 to 5 nm. TEM images revealed that Er3+- and Yb3+-co-doped Gd2O3 nanoparticles were the collection of the nano-rods 2–4 nm thick and 18–20 nm long. Also, photoluminescence analysis of the phosphor samples for variable concentrations of doping ions was presented. When doped with Er3+/Yb3+, nano-rod Gd2O3 emits intense green emission and some red emission peaks, under a 980-nm near-infrared laser. Our study shows that as-prepared samples may be useful for optical imaging systems and that nano-rod formation may be used as a major host carrier for drug delivery. [ABSTRACT FROM AUTHOR]

Summary: Ultrasonication is a novel, green, and sustainable method to modify the native starch for improved functionality and pronounced industrial applications. In the present study, the impact of ultrasonication power (40%, 50%, and 60%) on black wheat starch was observed on functional and pasta‐making attributes. Ultrasonication induced surface and microstructural alterations with minimal impact on the overall integrity of starch granules. The sound waves disrupted starch granules through cavitation and starch degradation by radial attack. Scanning electron microscope (SEM) images revealed that ultrasonication disrupted the starch granules and a porous structure was developed. The treatment induced fissures and pores formation leading to structural rearrangements without any impact at the molecular level. With the increment in the power of ultrasonication, the scratching and fissures on the starch granules are increased which further modifies the starch functionality. Due to structural disruption of long amylopectin helices into short‐chain amylopectin and dextrin resulted in a more crystalline structure of starch, the results were supported by X‐ray diffraction (XRD) and Fourier transform infrared (FTIR) spectra. This alteration in starch structure increased the amylose concentration, solubility, and swelling capacity of modified starch. Pasta prepared with modified starch shows improved cooking and textural properties. [ABSTRACT FROM AUTHOR]

Leaf extracts are known to be rich in phytoconstituent biomolecules, making them a valuable source of medicinal compounds. They also serve as both capping and reducing agents in nanoparticle fabrication. A reaction between CuSO4.5H2O aqueous solution and the Indigofera tinctoria leaf extract results in the formation of stable copper nanoparticles. Phytochemical screening of the Indigofera tinctoria leaf extract revealed the presence of various compounds including carbohydrates, terpenoids, phenol, tannins, flavonoids, saponins, and glycosides in the sample. The biosynthesized copper nanoparticles (CuNPs) were subsequently subjected to various forms of analysis. Techniques used included UV-visible (UV-vis) spectroscopy, Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy. An observable change in the color of solutions from pale to thick brown indicated the formation of CuNPs. Further confirmation came from UV-vis spectroscopy, which established the production of CuNPs at 500 nm. FTIR analysis revealed that the CuNPs were covered by organic residues. The particles ranged from 210 nm to 260 nm as indicated from the SEM analysis. [ABSTRACT FROM AUTHOR]

Chemical warfare agents pose a serious threat due to their extreme toxicity, necessitating swift the identification of chemical gases and individual responses to the identified threats. Fourier transform infrared (FTIR) spectroscopy offers a method for remote material analysis, particularly in detecting colorless and odorless chemical agents. In this paper, we propose a deep neural network utilizing a semi-supervised autoencoder (SSAE) for the classification of chemical gases based on FTIR spectra. In contrast to traditional methods, the SSAE concurrently trains an autoencoder and a classifier attached to a latent vector of the autoencoder, enhancing feature extraction for classification. The SSAE was evaluated on laboratory-collected FTIR spectra, demonstrating a superior classification performance compared to existing methods. The efficacy of the SSAE lies in its ability to generate denser cluster distributions in latent vectors, thereby enhancing gas classification. This study established a consistent experimental environment for hyperparameter optimization, offering valuable insights into the influence of latent vectors on classification performance. [ABSTRACT FROM AUTHOR]

Due to a legacy originating in the limited capability of early computers, the spectroscopic resolution used in Fourier transform infrared spectroscopy and other systems has largely been implemented using only powers of two for more than 50 years. In this study, we investigate debunking the spectroscopic lore of, e.g., using only 2, 4, 8, or 16 cm−1 resolution and determine the optimal resolution in terms of both (i) a desired signal-to-noise ratio and (ii) efficient use of acquisition time. The study is facilitated by the availability of solids and liquids reference spectral data recorded at 2.0 cm−1 resolution and is based on an examination in the 4000–400 cm−1 range of 61 liquids and 70 solids spectra, with a total analysis of 4237 peaks, each of which was also examined for being singlet/multiplet in nature. Of the 1765 liquid bands examined, only 27 had widths <5 cm−1. Of the 2472 solid bands examined, only 39 peaks have widths <5 cm−1. For both the liquid and solid bands, a skewed distribution of peak widths was observed: For liquids, the mean peak width was 24.7 cm−1 but the median peak width was 13.7 cm−1, and, similarly, for solids, the mean peak width was 22.2 cm−1 but the median peak width was 11.2 cm−1. While recognizing other studies may differ in scope and limiting the analysis to only room temperature data, we have found that a resolution to resolve 95% of all bands is 5.7 cm−1 for liquids and 5.3 cm−1 for solids; such a resolution would capture the native linewidth (not accounting for instrumental broadening) for 95% of all the solids and liquid bands, respectively. After decades of measuring liquids and solids at 4, 8, or 16 cm−1 resolution, we suggest that, when accounting only for intrinsic linewidths, an optimized resolution of 6.0 cm−1 will capture 91% of all condensed-phase bands, i.e., broadening of only 9% of the narrowest of bands, but yielding a large gain in signal-to-noise with minimal loss of specificity. [ABSTRACT FROM AUTHOR]

In the present work, a combination of virgin polypropylene and E-glass fiber was subjected to ten (10) reprocessing cycles via extrusion and compression molding techniques to mimic recycling and its impacts on the bending properties of the composites. The samples were characterized using Fourier transform infrared (FTIR) spectroscopy, x-ray diffraction (XRD), scanning electron microscopy (SEM), and melt flow index (MFI). The results revealed a gradual depreciation in flexural properties after each reprocessing cycle. The XRD analysis indicated a substantial reduction of peak intensities, degrees of crystallinities, and average crystallite sizes, explaining the lowered flexural properties in addition to a possible reduction in glass fiber lengths (fiber attrition). Melt-processing behavior shows a progressive increase of MFI from 7 to 19.16 g/10 min, confirming the probable damage in molecular weight and loss of complex viscosity. Chemical and structural analysis showed no alteration in the polypropylene major functional groups. It is concluded that the reductions in molecular weight and composites' properties occurred due to chain scission from recycling effects; hence, glass fiber-reinforced polypropylene composites can be recycled only three (3) times unless it is refreshed by the addition of virgin parts to compensate for the lost property. [ABSTRACT FROM AUTHOR]

BACKGROUND: This study was undertaken to determine the amount and type of microplastics in different milk samples. MATERIAL AND METHODS: Sample collection was done from branded, dairy, and directly from the cow shed and was then transferred to a conical flask. Containers were wrapped with aluminum foil to avoid contamination of the samples. A total of 100 mL of 5% sodium chloride solution was added to 200 mL of milk sample, rotated for 2 min, and was kept to undergo density separation for 15 min in a water bath. Whatman filter paper Grade I of pore size 11 µm is used for filtration. The samples were filtered using a vacuum filtration setup with a vacuum pressure of 0.5 bar pressure and stored in clean Petri dishes. These were kept in a hot air oven for drying at 60°C for 3 h and at room temperature for 24 h for complete drying of the filter paper. RESULTS: Fourier transform infrared analyses determined that the polystyrene type of microplastics was higher, showing red, blue, violet, and green colors by microscopic analysis. CONCLUSION: Three categories of milk samples (branded, dairy, and cowshed) were taken and analyzed, the results showed more microplastics in branded milk packets than in dairy and fresh cowshed milk samples which are lower than other food products. [ABSTRACT FROM AUTHOR]

Guar seed flour (GSF) has a high amount of carbohydrates, proteins, phytochemicals, and anti‐nutritional factors (ANFs), which limits its use. To address this issue, the current study was undertaken to understand the effect of microwave (MW) irradiation on ANFs, phytochemicals, in vitro protein digestibility (IVPD), and functional attributes of GSF at varying power density (Pd: 1–3 W/g) and duration (3–9 min). The ANFs were determined using a colorimetric assay and a Fourier transform infrared spectrum. At 3 Pd‐9 min, the maximum reduction in ANFs (tannin, phytic acid, saponin, and trypsin inhibitor activity) was observed. Higher Pd and treatment duration increased antioxidant activity and total phenolic content, except for total flavonoid content. Furthermore, compared to the control sample (78.38%), the IVPD of the GSF samples increased to 3.28% (3 Pd‐9 min). An increase in Pd and duration of MW treatment improved the thermal and pasting properties of GSF samples up to 2 Pd‐9 min. Due to inter‐ and intramolecular hydrogen bonding degradation, the relative crystallinity of the 3 Pd‐9 min treated GSF sample was 30.58%, which was lower than that of the control (40.08%). In MW‐treated samples, SEM images revealed smaller clusters with rough and porous structures. However, no noticeable color (ΔE) changes were observed in MW‐treated samples. Aside from water absorption capacity and water solubility index, MW treatment reduced oil absorption capacity, foaming capacity, and emulsifying capacity. As demonstrated by principal component analysis, MW irradiation with moderate Pd (2–3) was more effective in reducing ANFs, retaining nutritional contents, and improving the digestible properties of GSF, which could be a potential ingredient for developing gluten‐free products. [ABSTRACT FROM AUTHOR]

The study compared high‐pressure, microwave, ultrasonic, and traditional extraction techniques. The following extraction conditions were implemented: microwave‐assisted extraction (MAE) at 900 W power for durations of 30, 60, and 90 s; ultrasonic‐assisted extraction (UAE) at 100% amplitude for periods of 5, 10, and 15 min; and high‐pressure processing (HPP) at pressures of 400 and 500 MPa for durations of 1, 5, and 10 min. The highest yield in terms of total phenolic content (PC) was obtained in UAE with a value of 45.13 ± 1.09 mg gallic acid equivalent (GAE)/100 g fresh weight (FW). The highest PC content was determined using HPP‐500 MPa for 10 min, resulting in 40 mg GAE/100 g, and MAE for 90 s, yielding 34.40 mg GAE/100 g FW. The highest value of antioxidant activity (AA) was obtained by UAE in 51.9% ± 0.71%. The PCs were identified through the utilization of Fourier transform infrared (FTIR) spectroscopy and high‐performance liquid chromatography (HPLC). Utilizing multivariate analysis, the construction of chemometric models were executed to predict AA or total PC of the extracts, leveraging the information from IR spectra. The FTIR spectrum revealed bands associated with apigenin, and the application of HPP resulted in concentrations of 5.41 ± 0.25 mg/100 g FW for apigenin and 1.30 ± 0.15 mg/100 g FW for protocatechuic acid. Furthermore, HPLC analysis detected the presence of protocatechuic acid, caffeic acid, p‐coumaric acid, and apigenin in both green extraction methods and the classical method. Apigenin emerged as the predominant phenolic compound in peach extracts. The highest concentrations of apigenin, p‐coumaric acid, and protocatechuic acid were observed under HPP treatment, measuring 5.41 ± 0.25, 0.21 ± 0.04, and 1.30 ± 0.15 mg/kg FW, respectively. [ABSTRACT FROM AUTHOR]

The warm-mix flame retardant composite modified asphalt was prepared with warm-mix agent (Sasobit), aluminum hydroxide (ATH), organic montmorillonite (OMMT) and base asphalt, and fourier transform infrared (FTIR) scanning, thermogravimetric (TG) analysis and differential scanning calorimetry were used to investigate the coordination and synergistic effect of warm-mix agent and flame retardant and the flame retardant mechanism. The results show that the modification effect of warm-mix agent and flame retardant on the base asphalt is mainly physical modification. The addition of flame retardant can improve the thermal stability, flame retardant and smoke suppression effects of asphalt, and the flame retardant, smoke suppression effects are improved with the increasing of the amount of flame retardant. The flame retardant can form barrier coating on the asphalt surface with wrapping effect, which can effectively reduce the heat flow rate with excellent flame retardant efficiency and combustion process control ability. The compounded flame retardants of ATH and OMMT can provide the synergistic flame retardant effect, and the flame retardant mechanisms are mainly heat exchange interruption and condensed phase flame retardant. When the compounded flame retardant content is 8%, the asphalt has good flame retardant and smoke suppression properties with good economy. [ABSTRACT FROM AUTHOR]

Background Efficient infection control during carbapenem-resistant Enterobacterales outbreaks demands rapid and simple techniques for outbreak investigations. WGS, the current gold standard for outbreak identification, is expensive, time-consuming and requires a high level of expertise. Fourier-transform infrared (FTIR) spectroscopy (IR Biotyper) is a rapid typing method based on infrared radiation applied to samples, which provides a highly specific absorption spectrum. Objectives To investigate an outbreak of OXA-48-producing Escherichia coli in real-time using FTIR and subsequently compare the results with WGS. Methods Twenty-one isolates were collected during a nosocomial outbreak, and identification and antibiotic susceptibilities were confirmed by VITEK®2. FTIR was conducted for all isolates, and nine representative isolates were sequenced. Results FTIR was able to correctly determine the clonal relatedness of the isolates and to identify the outbreak cluster, as confirmed by WGS. By WGS, isolates in the main FTIR cluster belonged to the same MLST type and core-genome MLST type, and they harboured similar plasmids and resistance genes, whereas the singletons external to the FTIR cluster had different genetic content. Conclusions FTIR can operate as a rapid, efficient and reliable first-line tool for outbreak investigations during a real-time ongoing E. coli outbreak, which can contribute to limiting the spread of pathogens. [ABSTRACT FROM AUTHOR]

Secondary metabolites from sea urchin shells contain active substances with the potential of antibiotics. The purpose of this study was to investigate how sea urchin shell extract affected the development of the Staphylococcus bacterium. In this kind of research, the active chemical content of sea urchin shell extract was examined quantitatively, using scanning electron microscope (SEM) and Fourier Transform Infrared (FTIR), as well as the extract's effect on the development of Staphylococcus aureus bacteria. According to the study, the average level of total flavonoids was 1.29 %, total alkaloids were 0.12 %, and total tannins were 1.0 %. Sea urchin shell powder has an absorbance of 0.42 at a wavelength of 1,400.84 cm-1. According to microbiological experiments, sea urchin shell ethyl acetate extract was able to stop Staphylococcus aureus growth in the category of the strong inhibition zone (inhibition zone diameter of 12 mm). Extract from sea urchin shells has antibacterial properties and may be used to make anti-diabetic ointments. This fabrication is a fantastic option for use in healthcare and medicine. [ABSTRACT FROM AUTHOR]

Polymer blends have got considerable attention for their potential optoelectronic and photonic applications due to several advantages such as easy processing, low cost, flexibility, and good mechanical properties. This work reports the structure and optical properties of solution cast binary blends of poly (methyl methacrylate) (PMMA) and poly (vinyl carbazole) (PVK). Here, the position and/or intensity of characteristic FTIR peaks reveal the changes of the structure of PMMA on PVK content while the surface morphology changes from highly smooth for pure PMMA to flaky structured (PVK 5%) and then to agglomerated morphologies for these blends. A red shift in optical absorption edge and decrease in optical transmission with PVK content in PMMA based blends. The emission spectra exhibit intensity escalation by 340 times with respect to PMMA for PVK-15 blends and then decreases with further addition of PVK in these blends. These results are very important for the advent of new optoelectronic functionalities for these polymer blends. [ABSTRACT FROM AUTHOR]

A spectral analysis tool has been developed to interactively identify and quantify individual gas-phase species from complex infrared absorbance spectra obtained from laboratory or field data. The SpecQuant program has an intuitive graphical interface that accommodates both reference and experimental data with varying resolution and instrumental lineshape, as well as algorithms to readily align the wavenumber axis of a sample spectrum with the raster of a reference spectrum. Using a classical least squares model in conjunction with reference spectra such as those from the Pacific Northwest National Laboratory (PNNL) gas-phase infrared database or simulated spectra derived from the HITRAN line-by-line database, the mixing ratio of each identified species is determined along with its associated estimation error. After correcting the wavelength and intensity of the field data, SpecQuant displays the calculated mixing ratio versus the experimental data for each analyte along with the residual spectrum with any or all analyte fits subtracted for visual inspection of the fit and residuals. The software performance for multianalyte quantification was demonstrated using moderate resolution (0.5 cm–1) infrared spectra that were collected during the time-resolved infrared photolysis of methyl iodide. Graphical Abstract This is a visual representation of the abstract. [ABSTRACT FROM AUTHOR]

Background and objective: Lard is commonly used in food industry due to its availability, low cost, and ability to enhance food quality. However, certain religious groups such as Muslims do not eat it and consider lard as non-halal food. In the present study, for the first time, we conducted chemical and molecular analysis to detect different percentages of lard simultaneously. Materials and methods: To determine origin of a sample containing lard, various percentages of lard including 100, 50, 40, 30, 20, 10, 5, 3, 1 and 0% w/w were prepared in triplicate and tested for Fourier transform infrared, differential scanning calorimetry, and polymerase chain reaction analysis. Fourier transform infrared spectral analysis was carried out in the mid-infrared range (2-25 µm). Differential scanning calorimetry analysis was done from -60 to 60 °C at scan rate of 10 °C/min. The reactions in polymerase chain reaction analysis were amplified by specific primers which designed from cow and pig. Results and conclusion: Our results demonstrated that all three methods could detect various quantities of lard, but Fourier transform infrared and differential scanning calorimetry had some exceptions in their results. In comparison, polymerase chain reaction could amplify the pig-specific band (212 bp) in all samples containing lard. Therefore, our results showed that polymerase chain reaction approach is more reliable and accurate than two other methods. [ABSTRACT FROM AUTHOR]

In this work, the binding mechanism between donepezil (DNP) and bovine serum albumin (BSA) was established using several techniques, including fluorimetry, UV- spectrophotometry, synchronous fluorimetry (SF), fourier transform infrared (FTIR), fluorescence resonance energy transfer (FRET) besides molecular docking study. The fluorescence quenching mechanism of DNP-BSA binding was a combined dynamic and static quenching. The thermodynamic parameters, binding forces, binding constant, and the number of binding sites were determined using a different range of temperature settings. Van't Hoff's equation was used to calculate the reaction parameters, including enthalpy change (ΔHο) and entropy change (ΔSο). The results pointed out that the DNP-BSA binding was endothermic. It was shown that the stability of the drug-protein system was predominantly due to the intermolecular hydrophobic forces. Additionally, the site probing method revealed that subdomain IIA (Site I) is where DNP and BSA's binding occurs. This was validated using a molecular docking study with the most stable DNP configuration. This study might help to understand DNP's pharmacokinetics profile and toxicity as well as provides crucial information for its safe use and avoiding its toxicity. [ABSTRACT FROM AUTHOR]

Silicone rubber insulation used in nuclear power stations is inevitably exposed to highly energetic gamma‐ray irradiations which may lead to premature failure. Therefore, it is mandatory to develop silicone rubber composites capable of withstanding the stress posed by gamma‐ray irradiation. The present research involves the development of micro aluminum tri hydrate (ATH) and nano silica (SiO2) doped/co‐doped silicone rubber nanocomposites best suited for use in nuclear power stations. The samples were exposed to gamma‐ray irradiation of 500 kGy. Surface changes incurred were assessed using atomic force microscopy (AFM), fourier transform infrared (FTIR) spectroscopy, contact angle, surface potential/impedance, water droplet‐initiated corona inception voltage (CIV) measurements thermogravimetric analysis (TGA) was adopted to characterize the thermal stability of the specimens. Further moisture absorption behavior of the test specimens under strong electrolytic NaCl solution has been investigated. The erosion resistance of the virgin and gamma‐ray irradiated specimens has been classified using GoogLeNet convolution neural network. [ABSTRACT FROM AUTHOR]

The main aim of the present paper is to characterize the hydration properties of glucose and the hydrogen bond network in glucose–water mixtures. For these purposes, temperature scans on ten concentration values of glucose–water mixtures were performed by means of Fourier Transform InfraRed (FTIR) spectroscopy. More specifically, in order to get this information an analysis of the intramolecular OH stretching mode, investigating the 3000–3700 cm−1 spectral range, was performed by means of an innovative approach based on the evaluation of the Spectral Distance (SD). The adopted procedure allows evaluating the glucose hydration number as well as characterizing the temperature behavior of the hydrogen bond network in the glucose–water mixtures. The obtained results for the hydration number are in excellent agreement with literature data and suggest the existence of a particular concentration value for which the hydrogen bond network shows a maximum strength. [ABSTRACT FROM AUTHOR]

Context: The application of soil amendments to immobilise pesticide residues is a promising technology for meeting human health requirements, environmental protection and cost-effective remediation. Aims: This study aims to evaluate the effect of rice straw biochar (RB), rice straw compost (RC) and their mixtures at rates of 0.5% and 1.0% in pots, on the immobilisation of pesticides (such as atrazine, glyphosate and chlorpyrifos) in contaminated soil, using spectroscopy analysis under grown canola (Brassica napus L.) plants. Methods: Determination of immobilisation of pesticide residues by GC or HPLC and chemical properties of RB and RC and adding them at differentrates to the contaminated soil. Keyresults: The results showed that the addition of RB or RC alone or their mixtures led to a significant increase in the exchangeable Ca2+ contents, organic matter (OM), cation exchange capacity (CEC), uptake of N, P and K and dry weight of canola plants. Pesticide concentrations decreased with increasing OM, CEC, and exchangeable Ca2+ with the soil amended by RC and RB. The data indicated that adding RB at levels of 0.5% and 1.0% resulted in reductions in chloropyrifos by 43.2% and 63.1%, glyphosate by 32.8% and 77.3%, and atrazine by 21.9% and 72.2%, respectively, as compared to the control. Addition of (RC + RB) at 0.5% gave the highest pesticide immobilisation, followed (RC+RB) at 1.0%. Conclusion: These results indicate that the dominant mechanisms of pesticides immobilisation in the alkaline soils amended with RC and RB by FTIR and XRD analysis were π–π interaction, pore filling, hydrophobic effect, H-bonding, degradation as well as improvement of soil properties and dry yield of canola plants. Implications: Our results suggested the possibility of adding recycled rice straw in the form of compost or biochar to the contaminated soil to improve its properties, immobilise pesticides and increase its production capacity. The application of soil amendments to immobilise pesticide residues is a promising technology for meeting human health requirements, environmental protection and cost-effective remediation. The addition of biochar with compost increased the canola growth and decreased the concentrations of pesticide residues. Spectroscopy analysis indicated that the π–π interaction, pore filling, hydrophobic effect, H-bonding, and degradation are the dominant mechanisms of the studied pesticide residues with rice straw of biochar and compost amendments in the alkaline soils. [ABSTRACT FROM AUTHOR]

The physical, chemical, mechanical, thermal, and morphological characteristics of Grewia flavescens are reported in this article. The G. Flavescens fiber is found to have a satisfactory cellulose content and can be useful for lightweight applications due to its lower density. The fiber was analyzed using X-Ray diffraction (XRD) analysis, thermogravimetric analysis, Fourier transform infrared spectroscopy, scanning electron microscopic test, and atomic force microscopy. While XRD analysis confirms a comparable crystallinity index for this natural fiber, the thermal characteristics confirm the fiber's stability behavior when subjected to temperatures up to 165°C. Results of the morphological study of the fiber with a rough surface suggest its suitability for use in making composites. The comparatively less amount of wax and moisture content observed are again advantageous as the fiber bonding with the matrix will be improved in the composites. It is recommended that the present G. flavescens fiber can be efficiently utilized for making biocomposites. [ABSTRACT FROM AUTHOR]

The present article is focused on developing and validating an efficient, credible, minimally invasive technique based on spectral signatures of blood samples of women with recurrent miscarriage vs. those of healthy individuals who were followed in the Department of Obstetrics and Gynecology for 2 years. For this purpose, blood samples from a total of 120 participants, including healthy women (n=60) and women with diagnosed recurrent miscarriage (n=60), were obtained. The lipid profile (high-density lipoprotein, low-density lipoprotein, triglyceride, and total cholesterol levels) and lipid peroxidation (malondialdehyde and glutathione levels) were evaluated with a Beckman Coulter analyzer system for chemical analysis. Biomolecular structure and composition were determined using an attenuated total reflectance sampling methodology with Fourier transform infrared spectroscopy alongside machine learning technology to advance toward clinical translation. Here, we developed and validated instrumentation for the analysis of recurrent miscarriage patient serum that was able to differentiate recurrent miscarriage and control patients with an accuracy of 100% using a Fourier transform infrared region corresponding to lipids. We found that predictors of lipid profile abnormalities in maternal serum could significantly improve this patient pathway. The study also presents preliminary results from the first prospective clinical validation study of its kind. [ABSTRACT FROM AUTHOR]

Due to the impact of coal seam mining processes and the release of adsorbed gases in residual coal, a mixed gas field of methane and oxygen is formed in the goaf, which affects the oxidation process of the residual coal over a long period. In this study, to explore the low-temperature oxidation mechanism of residual coal in a hypoxic methane-containing environment, Low temperature nitrogen adsorption (LTNA) experiments and Fourier transform infrared spectroscopy (FTIR) were utilized to examine the pore development properties of residual coal and the transformation mechanisms of reactive micro-groups. The results indicate that increases in temperature and methane proportion promote the transition of various pores to larger scales, with 3 % methane inducing the formation of fine micropores, thereby increasing the specific surface area of the coal. High temperatures (80℃，100℃) and increased proportions of oxygen and methane synergistically elevate the fractal dimensions. Methane inhibits the consumption of hydroxyl groups, and a low oxygen concentration (5 %) impedes the gas production from coal oxidation. The presence of both oxygen and methane exhibits a compound effect; the strongest tendency towards spontaneous combustion occur at 1 % methane and 9 % oxygen. The findings provide valuable insights for controlling spontaneous combustion disasters in goafs. [Display omitted] • Increased methane and oxygen share promotes pore development in oxidized coal. • Methane increases the specific surface area of pre-oxidized coal. • The activity of -OH in methane atmosphere is stronger. • Pre-oxidized coal is prone to spontaneous combustion with 1 % methane and 9 % oxygen. • Functional group transformation pathways in residual coal oxidation were analyzed. [ABSTRACT FROM AUTHOR]

The applicability of four different drying technologies (hot air drying (HAD), hot air impingement drying (HAID), medium-short wave infrared drying (MSWID), and pulsed vacuum drying (PVD)) on drying characteristic and physicochemical of Cistanche deserticola (C. deserticola) were explored. Compared HAD, HAID, and MSWID, PVD can improve moisture mobility and form beneficial microporous channels for moisture migration inside C. deserticola, thus shortening drying time by 12.5% to 30.0% and increasing rehydration ratio by 10.82% to 29.29%, while better preserving the quality. Low-field nuclear magnetic resonance (LF-NMR) further demonstrated that PVD could significantly improve the moisture freedom and mobility of C. deserticola. Pearson correlation analysis confirmed the PVD dried samples showed the best antioxidant activity with the highest content of active ingredients (echinoside, acteoside and alcohol-soluble extracts). Furthermore, Fourier transform infrared (FTIR) analysis proved the differences among the four dried C. deserticola samples. This study clarified the optimal techniques for the drying of C. deserticola from the perspectives of drying efficiency and quality perspectives. A theoretical basis and technical support for promoting high-quality development of C. deserticola processing and comprehensive evaluation of differences products were provided.Graphical Abstract: The applicability of four different drying technologies (hot air drying (HAD), hot air impingement drying (HAID), medium-short wave infrared drying (MSWID), and pulsed vacuum drying (PVD)) on drying characteristic and physicochemical of Cistanche deserticola (C. deserticola) were explored. Compared HAD, HAID, and MSWID, PVD can improve moisture mobility and form beneficial microporous channels for moisture migration inside C. deserticola, thus shortening drying time by 12.5% to 30.0% and increasing rehydration ratio by 10.82% to 29.29%, while better preserving the quality. Low-field nuclear magnetic resonance (LF-NMR) further demonstrated that PVD could significantly improve the moisture freedom and mobility of C. deserticola. Pearson correlation analysis confirmed the PVD dried samples showed the best antioxidant activity with the highest content of active ingredients (echinoside, acteoside and alcohol-soluble extracts). Furthermore, Fourier transform infrared (FTIR) analysis proved the differences among the four dried C. deserticola samples. This study clarified the optimal techniques for the drying of C. deserticola from the perspectives of drying efficiency and quality perspectives. A theoretical basis and technical support for promoting high-quality development of C. deserticola processing and comprehensive evaluation of differences products were provided. [ABSTRACT FROM AUTHOR]

This study investigates the impact of different modifiers on the optical, structural, morphological, and radiation-shielding properties of BaO–TeO 2 glass ceramics. Various physicochemical instruments were used to assess structure, morphological, and optical properties, such as X-ray diffraction (XRD), Fourier transform infrared (FTIR), scanning electron microscope (SEM), and UV–Vis. The photon protection features were computed theoretically based on the Phy-X program. The XRD results showed different main phases in glass ceramics samples; other secondary phases appeared in each sample. The morphological results affirm the formation of some crystallized and glassy states with heterogeneous agglomerations. The linear attenuation coefficient (LAC) values at 0.2835 MeV for BiBTGC, TiBTGC, MnBTGC, and MoBTGC samples are 1.427, 0.852, 0.870, and 0.952 cm−1, respectively. Based on this result, the BiBTGC and MoBTGC samples showed the best gamma and neutron radiation shielding performances, respectively. While TiBTGC and BiBTGC samples showed the highest and lowest charged particle shielding properties, respectively. [ABSTRACT FROM AUTHOR]

According to the FAO/WHO Codex Alimentarius regional standards for kava (Piper methysticum Forst. f.), only Noble cultivars shall be used as raw material. Other P. methysticum cultivars and wild forms (P. m. var. wichmannii C.DC.) are excluded from trade. There is a need for accurate identification tools as morpho-agronomic descriptors are influenced by growing conditions and once kava roots have been harvested, it is visually impossible to differentiate Noble cultivars from others. In the present study, 163 leaf samples originating from Papua New Guinea, the Solomon Islands, Vanuatu, Fiji, Tahiti, Hawaii and Pohnpei were analyzed using 13 microsatellite (Single Sequence Repeat, SSR) markers. Hierarchical Clustering Analysis (HCA) and Multiple Correspondence Analysis (MCA) clearly differentiated five groups: Nobles from Polynesia, Nobles from Vanuatu, Two-day cultivars from Vanuatu, var. wichmannii from Vanuatu and P. methysticum cultivars for Papua New Guinea. Fourier Transform InfraRed (FTIR) was used to assess its potential as a high throughput analytical tool to detect nobility. FTIR spectra (1800-800 cm−1) from 138 root powder samples were analyzed using Principal Component Analysis (PCA). Nobles from Vanuatu and from Polynesia were not differentiated from each other but were differentiated from poor quality P. methysticum cultivars and from var. wichmannii. Linear Discriminant Analysis (LDA) improved the differentiation of Nobles from others. Samples were then classified in two groups: Nobles (Vanuatu + Polynesia) and non-Nobles. A learning and a test sets were composed at random. PLS-DA (Partial Least Square Discriminant Analysis) allowed the differentiation of Nobles with a prediction accuracy over 96.9%. FTIR has potential for kava quality control. The method described here is simple, fast, eco-friendly, and requires less than 0.5 g of root powder. Its routine application could greatly contribute to guarantee kava quality and protect the international markets. • Use of 13 SSR markers allowed 66 allele detection and easy scoring. • 163 leaf samples collected throughout the Pacific corresponded to 36 distinct genotypes. • Multivariate analysis of SSR data differentiate five groups. • FTIR spectra analysis of 138 root samples differentiate Nobles from non-Nobles kavas. • FTIR spectra PLS-DA model prediction accuracy allows differentiation over 96.9%. [ABSTRACT FROM AUTHOR]

Four glasses were synthesized using traditional melting and then the annealing process to study the possible enhancement effects of heavy metals like Bi 2 O 3 on the borosilicate glass system for the composition ((50-x)B 2 O 3 –5SiO 2 –40MgO-xBi 2 O 3 where x = 5, 10, 15, and 20). The structural features were investigated using Fourier-transform infrared (FT-IR) analysis and X-ray diffraction (XRD). Many physical and mechanical parameters have been studied. Optical absorption was measured for all samples to investigate direct and indirect transitions for optical band gap energy (E g) and Urbach's energy (E U) and extract various optical properties. The well-known Phy-X simulation was utilized to achieve the study's goal of calculating the shielding parameters of various gamma energies. Based on XRD results, the amorphous nature of all samples was observed. Adding Bi 2 O 3 instead of the B 2 O 3 side improves the ionizing radiation shielding properties and glass transparency. For example, the MAC values at 15 keV increased from 34.75244 to 73.80841 cm2/g with adding Bi 2 O 3. At the same time, the glass transparency rose from 62 % to 72 %. In contrast, adding Bi 2 O 3 reduced the glass stability according to mechanical and structural properties results. For example, Young's modulus reduced from 88.745 to 62.109 GPa with increasing Bi 2 O 3. The packing density (V t) also decreased from 0.606 to 0.468. Based on the results, the current glass is valid for use in a radiation shielding field. • Four glasses with composition of (50-x) B 2 O 3 –5SiO 2 –40MgO-x Bi 2 O 3 were (x = 5, 10, 15, and 20) have been synthesized. • The melt-quenching-annealing process was employed in the synthesis of the glass system. • X-ray diffractometer confirms the amorphous structure of the glasses. • FTIR spectroscopy show different peaks related to SiO 2 and B 2 O 3. • The S4 sample shows the highest density and shielding properties. [ABSTRACT FROM AUTHOR]

In this work, a microwave assisted method was developed for synthesis of red fluorescent copper nanoclusters (NCs) using trypsin as a template (trypsin–Cu). The as-synthesized trypsin–Cu NCs are stable and water soluble, exhibiting fluorescence emission at 657 nm when excited at 490 nm. The as-prepared red-emitting trypsin–Cu NCs were characterized by using several analytical techniques such as ultraviolet–visible (UV–Vis) and fluorescence, fluorescence lifetime, Fourier transform infrared, and X-ray photoelectron spectroscopic techniques. Red-emitting trypsin–Cu NCs acted as a nanosensor for sensing both Pb2+ and Hg2+ ions through fluorescence quenching. Using this approach, good linearities are observed in the range of 0.1–25 and of 0.001–1 μM with the lower limit of detection of 14.63 and 56.81 nM for Pb2+ and Hg2+ ions, respectively. Trypsin–Cu NCs-based fluorescence assay was successfully applied to detect both Hg2+ and Pb2+ ions in water and tobacco samples. Graphical Abstract [ABSTRACT FROM AUTHOR]

The FT-IR, FT-Raman and UV-Vis spectra of 4-[4-(bromo-phenylimino)-methyl]-2-ethoxy phenol (4BPMEP) were recorded and analyzed. The optimized geometrical parameters were calculated. The total energy distribution (TED) analysis was used to find the complete vibrational assignments. The UV-Vis spectra were recorded and analyzed. The hyper conjugative interaction energy E(2) and donor (i), acceptor (j) electron densities (EDs) were calculated by natural bond orbital (NBO) analysis. The band gap energy of 4BPMEP was calculated by highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) analysis. The electronic transition was studied by UV-Vis analysis of 4BPMEP with B3LYP/6-311++G(d,p) level of basis set. The non - linear optical (NLO) behavior, molecular electrostatic potential (MEP) and thermodynamic properties were also calculated. In addition, Gauge invariant atomic orbital (GIAO) method was used to calculate 1H and 13C NMR chemical shift values of 4BPMEP in the ground state at B3LYP/6-311++G(d,p) basis set. To establish the information about interactions between topoisomerase DNA gyrase enzymes and the novel compound, docking studies were carried out by Schrödinger software. [ABSTRACT FROM AUTHOR]

Postmortem chemical transformation of bone bioapatite can take place during early diagenesis, resulting in a more thermodynamically stable mineral phase. This paper examines the impact of a one year postmortem interval on unburnt and burnt bone's structural and chemical alterations. This question is of importance for the reconstruction of funerary practices involving cremation in the archaeological record, as well as forensic anthropological investigations. Fleshed pig (Sus scrofa) tibiae were left exposed in a field, then collected at 14, 34, 91, 180, and 365 day intervals prior to being burnt in an outdoor fire (≤750 °C bone temperature). Fresh (fleshed) tibiae acted as unburnt and burnt controls. Also included in the study were two cremated human bone fragments from Middle–Late Neolithic (ca. 3300–2500 BCE) Ireland. Samples were analyzed for major and trace elements using an electron microprobe wavelength dispersive analyzer and molecular structures using Fourier transform infrared spectroscopy. Linear regression, principal component analysis, linear discriminant analysis, and multivariate analysis of variance were performed for statistical analysis. Results indicate that the concentrations of elements associated with extracellular fluid (K, Na, and Cl) change with the postmortem interval (PMI) and survive burning. K values under 0.07 ± 0.01 wt% in the inner and mid-cortical zones of burnt bones suggest that bones were not burnt immediately after death. Using this criterion, results from the archaeological samples would indicate a PMI of at least weeks to months prior to cremation. Ca, P, Fe, Al, Si, and Sr are not significantly altered with burning, and Fe, Al, Si, and Sr are also unaffected by the PMI. In unburnt bones increased crystallinity and carbonate loss are detectable in <1 year, but both are obscured by burning. Structurally, the carbonate to phosphate ratio (C/P), the phosphate high temperature, and cyanamide to phosphate (CN/P) are the most useful ratios for discriminating between unburnt and burnt bones. Graphical Abstract [ABSTRACT FROM AUTHOR]

In this study, silver nanoparticles (AgNPs) were synthesised using the Prunus cerasifera pissardii nigra (PC) leaf extract in an easy, low-cost and environmentally friendly way. According to the ultraviolet-visible (UV-vis) spectrophotometer analysis data, the nanocrystals demonstrated a characteristic peak at 456 nm. Scanning electron microscopy (SEM), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM) and energy-dispersive X-ray (EDX) spectroscopy analyses revealed that the morphological structures of the biosynthesised AgNPs were mostly spherical. According to the results of X-ray diffraction (XRD) analysis, it was determined that the crystal structures of AgNPs were cubic. The size of the nanoparticles was calculated as 23.60 nm using the Debye-Scherrer equation. The zeta potential of the synthesised nanomaterial was measured as -15.5 mV. The minimum inhibitory concentration (MIC) values of AgNPs on Staphylococcus aureus ATCC 29213, Escherichia coli ATCC 25922, Bacillus subtilis ATCC 11774, Pseudomonas aeruginosa ATCC 27853 and Candida albicans ATCC 10231 were determined to be 0.062, 0.250, 0.125, 0.500 and 0.125 µg mL-1, respectively. [ABSTRACT FROM AUTHOR]

Summary: Wheat flour was supplemented with different levels of soy protein concentrate (SPC) and applied to precooked noodles for protein fortification whose quality attributes were characterised in terms of rheology, microstructure and water mobility. The wheat flours with high levels of SPC showed lower enthalpy values and higher temperatures derived from starch gelatinisation. They also exhibited lower values of the pasting viscosity and dynamic viscoelastic parameters. The mixolab measurements demonstrated that the supplement with SPC was effective in raising the water absorption and dough stability of wheat flour. In addition, the use of SPC‐supplemented wheat flours produced precooked noodles with tight and dense structures, which were confirmed by scanning electron microscopic analysis. These microstructural changes were consequently related to higher maximum resistance to extension and lower extensibility of the noodles. However, the SPC‐supplemented wheat flours did not significantly affect the cooking loss of the noodles. Furthermore, three water components with different mobility were observed in the precooked noodles whose spin‐spin relaxation times were distinctly reduced with increasing levels of SPC. Overall similarities in the sensory noodle attributes were detected as wheat flour was supplemented with SPC at a level of 8% (w/w). [ABSTRACT FROM AUTHOR]

The physicochemical, mechanical, thermal as well as morphological characteristics of alkali treated cellulosic Grewia Flavescens are reported in this paper. Using standard test methods, the chemical constituents of Grewia Flavescens fiber (GFF) are evaluated. Fiber treated in 5% (w / v) NaOH for 45 min soaking time is regarded as optimally surface-modified fiber. After optimal alkalization, there is an enhancement of cellulose content from 58.46% to 68.31%. Mechanical properties of GFF are determined by single fiber tensile test and improved tensile strength is achieved after alkalization. Weibull statistical analysis is performed for diameter and mechanical parameters of raw as well as treated GFF. FTIR spectroscopy reveals the removal of amorphous material from the fiber post-treatment and XRD analysis confirms improvement in crystallinity index from 16.01% to 26.72% and crystal size from 62.90 nm to 68.43 nm after alkalization. Thermal stability and thermal degradation temperature are found to be improved after alkali treatment. Morphological analysis of raw and alkali treated cellulosic GFF shows enhanced rough surface of fiber after alkalization because of elimination of impurities and foreign particles from the fiber surface. Presently studied GFF seems to be a good substitute to the harmful man-made fibers for making of bio composites. • Cellulosic Grewia Flavescens fibers (GFF) are characterized in this research. • Optimal alkali treatment of the fiber is followed and effects of alkalization are studied. • Using standard test methods, the chemical constituents are evaluated and mechanical properties are studied by single fiber test. • XRD analysis shows improvement in crystallinity index from 16.01% to 26.72% and crystal size from 62.90 nm to 68.43 nm after alkalization. • Presently studied GFF seems to be a substitute to harmful man-made fibers. [ABSTRACT FROM AUTHOR]

Objectives: To investigate the chemical changes in root dentin submitted to ionizing radiation and how it affects the interaction with resin cements. Materials and methods: Forty human premolars were randomly divided into two groups (n = 20): non-irradiated and irradiated. They were randomly subdivided according to the type of resin cement (n = 10): conventional (RelyX ARC, 3 M ESPE) or self-adhesive (RelyX U200, 3 M ESPE). After cementation of the fiberglass posts, the roots were sectioned to be analyzed by Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, and confocal laser scanning microscopy (CLSM). The data obtained from FTIR and Raman were analyzed using two-way ANOVA followed Tukey's test (α = 0.05). For CLSM, a descriptive analysis was performed. Results: In the FTIR, there was a significant difference between the non-irradiated and irradiated groups for phosphate (p = 0.011), carbonate (p < 0.001), amide III (p = 0.038), and carbonate/mineral ratio (p < 0.001). Regarding the root third, there was a difference for amide I (p = 0.002), mineral/matrix ratio (p = 0.001), and amide I/CH2 (p = 0.026) between the cervical and the others. Raman spectroscopy revealed no difference between groups for 961/1458 cm−1 in the diffusion zone. CLSM showed a different interaction pattern for the two cements with the irradiated dentin from the cervical third. Conclusions: Ionizing radiation altered the chemical composition of root dentin, especially in the cervical third. The resin cements showed less interaction with the irradiated root dentin. Clinical relevance: As radiotherapy alters the chemical composition of root dentin, the interaction of resin cement with dentin can compromise the success of rehabilitation with fiberglass posts. [ABSTRACT FROM AUTHOR]

A comparative study of structural, optical properties of plasma‐treated Ga‐doped ZnO nanorods (GZO NRs) prepared by hydrothermal growth is presented, which provides an economical technology for fast production. Annealing in air followed by plasma treatment has been found to be an effective way of purification of ZnO NRs. The plasma hydrogenation and oxidation are done at room temperature in an inductively coupled plasma (ICP) reactor. The properties of plasma‐treated GZO NRs are investigated using various characterization methods, such as scanning electron microscopy (SEM), Raman, Fourier transform infrared (FTIR), X‐ray photoelectron spectroscopy (XPS), X‐ray diffraction (XRD), and electron paramagnetic resonance (EPR) spectroscopy. The SEM confirms the hexagonal shape of all GZO NRs. XPS reveals the presence of metallic Ga as well as Ga2O3 on GZO NRs surface. XRD has detected hexagonal (P63mc) ZnO phase in all samples with additional diffraction pattern in powder that has not been plasma treated. Plasma treatment does not affect the position of FTIR signals but changes the intensity of some absorption peaks. EPR shows a dominant signal with a g‐factor of 1.96. Plasma treatment of GZO samples affects its intensity. [ABSTRACT FROM AUTHOR]

We document an artifact associated with the back reflection from samples or sampling accessories in Fourier transform spectrometers. Samples oriented normal to the incoming modulated beam can reflect light back to the interferometer and this light (the percentage dependent on the sample's refractive index) is modulated by the interferometer a second time resulting in light erroneously appearing at twice its true frequency. The phenomenon occurs across the spectrum but is most apparent when positive-going narrow absorption peaks at 1 f display as negative-going peaks at 2 f. We have redressed the artifact by implementing a rotation stage directly beneath the sample holder: As the stage is rotated through small angles relative to beam normal, the back-reflected light does not enter the interferometer and the artifact disappears. The observation is relevant to several IR sampling methods: gas/liquid cells, alkali halide pellets, reflectance accessories, etc. [ABSTRACT FROM AUTHOR]

In the current investigation, a native crude fucoidan (Ex) was extracted from Sargassum crispifolium, pretreated by single-screw extrusion, and two degraded fucoidans, i.e., ExAh (degradation of Ex by ascorbic acid) and ExHp (degradation of Ex by hydrogen peroxide), were obtained. The extrusion pretreatment increased the extraction yield of fucoidan by approximately 1.73-fold as compared to the non-extruded sample. Among Ex, ExAh, and ExHp, their molecular weight and chemical compositions varied, but the structural features were similar. ExHp possessed the greatest antioxidant activities among the extracted fucoidans. According to the outcome, ExAh exhibited the maximum immune promoting effects via enhanced NO, TNF-α, IL-1β, IL-6, and IL-10 secretion. Thus, both ExHp and ExAh may potentially be used as an effective antioxidant and as immunostimulant agents, which could be of great value in the development of food and nutraceutical products. [ABSTRACT FROM AUTHOR]

A melt quenching method was applied to fabricate a series of bismuth lithium borate glasses with a chemical composition of 65(B 2 O 5) + 20(Bi 2 O 3) + (15 − x)(Li 2 O) + x(Nd 2 O 3), where x = 0, 1, 2, 3, and 4 mol%. The structural changes in the fabricate glasses were studied via the Fourier transform infrared spectroscopy (FT-IR). The FT-IR spectra of the manufactured glasses indicated the transformation of the structural unit BO 4. The mechanical properties of the produced glasses were evaluated via the ultrasonic measurement (longitudinal and shear velocities) and the Makishima–Mackenzie modulus calculations. Furthermore, the role of Nd 2 O 3 in improving mechanical properties was studied theoretically and experimentally and results showed that ultrasonic velocities and elastic moduli decreased with increasing the Nd 2 O 3 content. The Young's modulus decreased from 68.47 to 50.61 GPa as the Nd 2 O 3 content increased from 0 to 4 mol%, respectively. The gamma ray shielding properties of the studied glass samples were evaluated using the Monte Carlo simulations between 0.223 and 2.506 MeV. The simulated data showed that the fabricated glass without Nd 2 O 3 has the highest linear attenuation coefficient, which varied between 0.210 and 0.212 cm−1 for photons with energies ranging from 0.2234 to 2.506 MeV. [ABSTRACT FROM AUTHOR]

In order to quantitatively analyze the degree of fusion of old and new asphalt in thermal regeneration, Fourier transform infrared spectroscopy (FTIR) was used to analyze the fusion degree of recycled asphalt pavement (RAP) to study the degree of fusion of old and new asphalt during thermal regeneration. According to the different infrared characteristic peaks of styreneic-block copolymers (SBS) and base asphalt, using SBS as asphalt tracer, a method for quantitative analysis of the degree of fusion between old and new asphalt was proposed based on the layered solution method. The effect of mixing temperature, mixing time and lignin fiber on the fusion degree of new and old asphalt in the thermal regeneration process was studied by this method. The results show that with the increase of mixing temperature and mixing time, the degree of fusion between old and new asphalt also increases, and the addition of lignin fiber also improves the degree of fusion between old and new asphalt. [ABSTRACT FROM AUTHOR]

Summary: The study investigated the effects of adding different types of fibre (psyllium and cellulose) on in vitro digestion behaviour of wheat starch with its thermal and structural properties. Psyllium and cellulose fibres interfered with the wheat starch differently. Psyllium fibre hindered starch gelatinisation, restricted the loss of starch crystallinity, and decreased the accessibility of enzymes to starch. In contrast, cellulose fibre had no significant effect on gelatinisation and loss of crystallinity but limited the digestive enzyme mobility. The impact of psyllium was more pronounced than cellulose on reducing starch digestibility. Rapidly digestible starch fractions of the cooked starch reduced from between 57.90 ± 0.60–69.72 ± 0.46 (% in starch) to between 28.06 ± 0.36–46.34 ± 1.10 (% in starch) and 53.23 ± 0.36–66.71 ± 0.24 (% in starch) for psyllium and cellulose fibre, respectively. This information could be helpful to design foods containing starch with reduced digestibility for a healthy diet. [ABSTRACT FROM AUTHOR]

This Focal Point Review paper discusses the developments of biomedical Raman and infrared spectroscopy, and the recent strive towards these technologies being regarded as reliable clinical tools. The promise of vibrational spectroscopy in the field of biomedical science, alongside the development of computational methods for spectral analysis, has driven a plethora of proof-of-concept studies which convey the potential of various spectroscopic approaches. Here we report a brief review of the literature published over the past few decades, with a focus on the current technical, clinical, and economic barriers to translation, namely the limitations of many of the early studies, and the lack of understanding of clinical pathways, health technology assessments, regulatory approval, clinical feasibility, and funding applications. The field of biomedical vibrational spectroscopy must acknowledge and overcome these hurdles in order to achieve clinical efficacy. Current prospects have been overviewed with comment on the advised future direction of spectroscopic technologies, with the aspiration that many of these innovative approaches can ultimately reach the frontier of medical diagnostics and many clinical applications. Graphical Abstract [ABSTRACT FROM AUTHOR]

The present paper deals with the physiological response of the changes in chemical contents in the root, stem and leaf of Vetiveria zizanioides seedlings stressed by excess cadmium using Fourier transform infrared spectroscopy technique. Cadmium accumulation in plant and distribution in subcellular by atomic absorption spectroscopy were tested under different concentrations cadmium stress. The results show that low cadmium concentrations (<3 mg·L−1), the stem tissue of Vetiveria zizanioides can uses osmosis of organic substances (e.g., carbohydrates and amino acids) to improve cadmium tolerance. Organic acids secreted by the root of the plant could chelate cadmium, and the membrane lipid peroxidation of root, stem and leaf arise. It may be associated with cadmium tolerance threshold of Vetiveria zizanioides. In addition, the plant accumulated large amounts of cadmium, up to a maximum of 212.49 mg · kg−1(the shoot) and 290.59 mg · kg−1 dry weight (the root) on 10 days when the plant was treated with 7 mg·L−1 cadmium. The cadmium in the shoot (stem and leaf) usually increased with increasing cadmium concentration. Cadmium accumulated in leaves was mainly distributed in the cytoplasm, followed by the cell wall, and was least distributed in the mitochondria and chloroplasts. These studies demonstrated that the potential of Fourier transform infrared spectroscopy is the non-invasive and rapid technique for monitoring of the plants stressed with heavy metals, and Vetiveria zizanioides is suitable for phytoremediation of cadmium -contaminated soils. [ABSTRACT FROM AUTHOR]

Terra preta is a fertile anthropogenic soil found in the Amazon basin. One of the most significant differences between the terra preta and surrounding soils is that terra preta is rich in aromatic carbons. Previous infrared investigations of terra preta were reported at energies above 1000 cm−1 where many other forms of carbon also have absorption lines. No measurements have been reported below 800 cm−1, where many absorptions associated with aromatic carbons occur in the absence of aliphatic carbon lines. We employ Fourier transform infrared spectroscopy between 150 cm−1 and 500 cm−1. A comparison was made between the spectra of terra preta, several pure aromatic compounds, organic fertilizers developed to replicate terra preta and several Australian soils, some of which containing char from bushfires. The spectra in the 150–500 cm−1 range were very similar between terra preta and the organic fertilizers, while they were very different for the natural soils. These findings indicate that the content of aromatic carbons in terra preta and organic fertilizers is different than in natural soils containing the bushfire chars, but also soils produced entirely by bacterial and fungal activities. This point to the importance of the preparation conditions of the biochars, which are essential ingredients of terra preta and organic fertilizers used in this study. Graphical Abstract [ABSTRACT FROM AUTHOR]

Milk fat is an important nutrient for young animals and humans, and its composition [fatty acids (FA)] may vary broadly. The objective of this study was to describe the development of global FA models for high‐throughput Fourier transform infrared milk analysers. The developed models for major FA, FA grouped by chain length, by degree of unsaturation and by their origin, showed good accuracy, repeatability and correlation to gas chromatography. Moderate performance was obtained for low concentration FA (short chain, polyunsaturated and trans). Possible practical applications could be to enhance dairy products, optimise milk processing and/or optimise dairy cow performance through improved feeding and management. [ABSTRACT FROM AUTHOR]

Crystallization of poly (1-butene) (PB) can be manipulated by addition of isotactic polypropylene (PP), and therefore PB/PP blends have attracted considerable attention. Despite many studies on this system in the literature, the miscibility of the two components remains a controversy. In the present paper, we investigated the compositions of the micro phases in PB/PP blends by atomic force microscopy-infrared (AFM-IR). A Fourier transform infrared (FT-IR) quantitative analysis method was first established to determine the PB content in a PB/PP blend based on the peak area ratio of the 1460 cm-1band to the 1378 cm-1band, and then taking advantage of the consistency between the AFM-IR and the FT-IR spectra, the calibration was applied to extract the micro phase composition from the AFM-IR spectra acquired for the micro phases. It is found that a PB/PP blend containing 70% mass fraction of PB phase separates into a PB-rich phase and a PP-rich one, with PB mass fractions of 78% and 19%, respectively, indicating that the two components are partially miscible to one another. [ABSTRACT FROM AUTHOR]

An innovative mid-infrared spectroscopic sensor system based on quantum cascade lasers has been developed. The system combines the versatility of substrate-integrated hollow waveguides (IHWGs) with the robustness of attenuated total reflection (ATR) crystals employed as internal reflection waveguides for evanescent field sensing. IHWGs are highly reflective metal structures that propagate infrared (IR) radiation and were used as light pipes for coupling radiation into the ATR waveguide. The combined IHWG-ATR device has been designed such that the utmost stability and robustness of the optical alignment were ensured. This novel assembly enables evanescent field absorption measurements at yet unprecedently harsh conditions, that is, high pressure and temperature. Combining these advantages, this innovative sensor assembly is perfectly suited for taking ATR spectroscopy into the field where the robustness of the assembly and optical alignment is essential. Graphical Abstract [ABSTRACT FROM AUTHOR]

The main aim of this research was to fabricate novel African teff and snake grass fibers reinforced hybrid epoxy composites with bio castor seed shell powder as filler using compression molding method as a function of varying fiber weight fraction from 5 to 25 wt%. The African teff and snake grass fibers were chemically treated with 5% NaOH to enhance fiber outer surface by removing hemicellulose, lignin, wax, and oil contents. The tensile, flexural, impact, interlaminar shear strength, and hardness of the alkaline treated hybrid composites were determined as per ASTM standards to evaluate the effect of fiber weight fraction on the developed composites. The chemical bonding between the treated fiber and NaOH agents was verified through Fourier transform infrared analysis. The adhesion between the treated fiber and matrix was analyzed by using a scanning electron microscope. The results of the investigation indicated that the mechanical properties improved with the increase in African teff fiber up to 20 wt. % and deteriorated thereafter. It was also observed that the combined influence of bio castor seed shell powder along with natural fibers over the mechanical properties was higher. [ABSTRACT FROM AUTHOR]