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In order to avoid excessive use of natural sand and gravel materials as aggregates of asphalt mixtures and to comply with the strategic policy of green development, solid waste iron tailings are used to replace sand and gravel materials to prepare a new type of iron tailings asphalt mixture. A mass spectrometer was used to analyze the chemical composition of the selected iron tailings. The penetration, penetration, softening point, ductility, viscosity and aging durability of asphalt mixture under different iron tailings content are studied. The research results show that the optimal preparation temperature of iron tailings asphalt mixture is selected as 180℃. Comprehensive analysis of economic benefits and effectiveness can determine the optimal content of iron tailings is 30%. Compared with the aged iron tailings asphalt material, the penetration and ductility of the two different asphalt mixtures before aging have a tendency to decrease under the same iron tailing content. However, under the effect of the same iron tailings content, the softening point of the two different asphalt mixtures before aging has a tendency to increase. Comprehensive analysis can be obtained: the asphalt mixture prepared with a temperature of 180°C and an iron tailing content of 30% can meet the road requirements of highways. The spectrum change law of all asphalt samples is basically the same. It shows that the structure of modified asphalt mixed with iron tailings is basically the same as that without iron tailings asphalt. However, with the increase of the iron tailings content, the FT-IR spectrum of the asphalt shows a decreasing trend under the same wave number. It shows that iron tailings can effectively improve the physical properties of asphalt.

[Display omitted] • The existence of a new metastable phase in p -cresol has been discovered. • The melting point of the new metastable phase corresponds to 302.9 K. • The FT-IR spectra of three polymorphs of p -cresol and their temperature dependences were obtained. We have investigated polymorphism in p -cresol using the FT-IR spectroscopy and differential scanning calorimetry. The present results show that in addition to the well-known two crystalline phases of p -cresol, which melts at 307.6 and 309.2 K, we discovered the existence of a new crystalline phase, which melts at 302.9 K. For the first time we have received the FT-IR spectra of three polymorphs and their temperature dependencies in the region 300–12 K. Comparison between the FT-IR spectra of three polymorphs shows that they are completely different. [ABSTRACT FROM AUTHOR]

• Crystal structure studies of inclusion complexes of α-cyclodextrin with p -aminobenzoic acid and nicotinic acid. • Inclusion complexes confirmed by DSC calorimetry, FT-IR, 1H NMR spectroscopy. • ITC calorimetry appointed stoichiometry (n) and standard thermodynamic functions (ΔH, ΔG, ΔS), binding constants (K). In this work, inclusion complexes of α-cyclodextrin with p -aminobenzoic acid (PABA) and nicotinic acid (NIK) were studied. Solid-state complexes were obtained and studied with single-crystal X-ray diffraction, powder X-ray diffraction, differential scanning calorimetry, and FT-IR spectroscopy. Additionally, the formation of complexes was studied in aqueous solutions with isothermal titration calorimetry and 1H NMR spectroscopy in DMSO‑d6 solutions. Single crystal studies, FT-IR spectroscopy and powder diffraction confirmed the inclusion of PABA and NIK inside the cyclodextrin cavity. From the results of the isothermal titration calorimetry, the stoichiometry (n) and standard thermodynamic functions (ΔH, ΔG, ΔS) of complexation, as well as binding constants (K) for the formed complexes were calculated. The obtained results confirmed the thermodynamically spontaneous formation of complexes in exothermic reactions. Furthermore, the results obtained were compared for complexes of PABA/NIK acids with β-cyclodextrin. A database survey of α-cyclodextrin complexes with different benzoic acids available in the CSD database was performed. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • FTIR spectroscopy of adsorbed CO on impregnated and ion exchanged Pd/SSZ-13 samples. • CO reducing effect on Pd2+ only in the presence of H 2 O. • H 2 O compensates with H+ the zeolite exchange sites set free by Pd reduction. • H 2 O mobilizes isolated Pd cations, making possible the reduction reactions. • Combined effect of H 2 O and CO allow to detail the assignments of carbonyl IR bands. Pd speciation induced by the combined effect of CO and water on Pd/SSZ-13 samples prepared by both impregnation and ion exchange was examined by FT-IR spectroscopy of CO adsorbed at room temperature and at liquid nitrogen temperature on anhydrous and hydrated samples. Starting from the literature findings related to the CO reducing effect on Pd cations, the present work gives precise spectroscopic evidences on how water is necessary in this process not only for compensating with H+ the zeolite exchange sites set free by Pd reduction, but also for mobilizing isolated Pd2+/Pd+ cations and making possible the reduction reactions. The aggregation of some Pd+ sites, just formed by the reduction and mobilized by the hydration, gives rise to the formation of Pd 2 O particles. Also, Pd0(1 0 0) sites are observed with CO on hydrated sample, formed by the aggregation and reduction of isolated Pd cations. Moreover, Pd0(1 1 1) sites are formed on the surface of PdO x particles during CO outgassing. The observation of the combined effect of water and CO allowed to define assignments of IR bands related to carbonyls of Pd in different oxidation states and coordination degrees. [ABSTRACT FROM AUTHOR]

Calcium aluminium borate glasses (CABM glasses) doped with Mn2+ ions were prepared by the melt quenching process. XRD, physical, thermal features, FTIR, and Raman spectroscopic measurements were performed. Also, the radiation attenuation capacity was evaluated. The following conclusions are drawn from the present study. The amorphous state of CABM glasses was proved by XRD measurements. Density (ρ) of samples varied from 3.827 g/cm3 to 2.766 g/cm3. The refractive index increased as Al concentration increased. The glass transition temperature (Tg) decreased with the presence of aluminium oxide from 5 to 15 mol%. The structural elements BO 3 and BO 4 were located using the FTIR spectra. The bond vibrations of Ca2+, Mn–O, and Al were supported by their FTIR and Raman band assignments. It has been shown that the lengthening of the Al–O bond in AlO 4 is connected with an increase in molar volume. Mass (MAC) attenuation coefficient confirmed the following trend: (CABM0) MAC > (CABM1) MAC > (CABM2) MAC > (CABM3) MAC > (CABM4) MAC. Half (HVL) value layer verified the following order: CABM0 < CABM1 < CABM2 < CABM3 < CABM4. Results concluded that the suggested CABM glasses can be applied for solid state devices and radiation attenuation applications. • New CaO–Al 2 O 3 –B 2 O 3 –MnO 2 glasses were successfully synthesized. • Physical and XRD measurements were performed. • FTIR and Raman spectroscopies were investigated. • Radiation attenuation capacity was evaluated. • Suggested glasses are promising in Solid state devices and radiation shielding applications. [ABSTRACT FROM AUTHOR]

A new single crystal of (C7H12N2)2[CuCl4] was developed at room temperature using the gradual evaporation technique, resulting in an interesting structural arrangement. The crystal is composed of alternating organic and inorganic layers that are held together by the cohesive force of H-bonds formed between the organic and inorganic groups, as well as interactions controlled by Van der Waals forces. The distribution of intermolecular interactions was explored using Hirshfeld surface analysis, revealing that H…H contacts make up a substantial portion of the Hirshfeld surface. To uncover the vibrational features of this structure, infrared spectroscopy was employed, and the vibrational bands were assigned by comparing the frequencies to those of similar compounds. With the increasing issue of multi-drug-resistant bacteria, the potential for a synergistic effect between antibiotics and metal ion complexes is becoming more critical. This was tested by combining antibiotics with (C7H12N2)2[CuCl4] and investigating their antibacterial activity using disk diffusion techniques, which showed a synergistic increase in activity against opportunistic nosocomial pathogen bacterial strains.

Objective: To determine frequency and chemical composition of renal stones in Northern Pakistan using FTIR Spectroscopy. Study Design: Cross-sectional study Place and Duration of Study: Department of Chemical Pathology and Endocrinology, Armed Forces Institute of Pathology, Rawalpindi Pakistan, from Jan 2017 to Jul 2020. Methodology: One thousand and twenty-nine stones were analysed in 3 years at AFIP of patients aged from 1 to 98 years. They were analysed by Automatic FT-IR type IRAffinity-1. The results were verified by manual analysis of spectrograms and then confirmed by standard peaks feed on NICODOM LIBRARY. Results: Calcium oxalate stones were the most frequent (1065,80.1%), followed by uric acid stones (179,13.5%), mixed stones (44,3.3%), calcium appetite (31,2.3%), struvite (6,0.5%), hydroxy appetite (1,0.1%) and cysteine stones (3,0.2%). Male predominance was noted in patients with renal stones (1057,79.5%). The majority of the patients were from the age group 21 –40 years (47.5%) Conclusion: Calcium oxalate stones are most commonly followed by uric acid stones in patients of northern Pakistan. The frequency of renal stones is high in male patients.

A greater understanding of moisture sorption behaviour of aged wooden structural components, which has a close relationship with dimensional stability, is required to effectively evaluate and preserve historical artefacts. This study focused on the effects of aging on Baotou beam samples from a Chinese historical wooden building. An analysis of the sorption isotherms and hysteresis loops of a naturally aged, decayed sample (AOS), an aged sound sample (AIS), and a reference sample (RS), using classical sorption isotherm models revealed that the moisture sorption behaviour of samples from the same growth ring in a Baotou beam can differ significantly. AOS showed higher hygroscopicity than AIS, and both these samples were more hygroscopic than RS. Furthermore, the mono/multilayer moisture contents of AOS were always higher than those of AIS and RS. In addition, Fourier transform infrared, second-derivative infrared, and two-dimensional correlation infrared spectroscopy were used to investigate chemical changes in the samples. The relative hemicellulose and lignin contents of the samples changed significantly with wood aging. Furthermore, AOS exhibited the highest calcium oxalate content, which may be associated with fungal infections. Overall, these results provide valuable insights into the effects of aging on wood samples and the dimensional stability of timber structures, which could inform future research on methods for the preservation or restoration of aging timber structures. [ABSTRACT FROM AUTHOR]

DFT calculations were performed for a series of N-triflyl substituted amidines, their dimers, and hydrogen-bonded complexes with hexafluoroisopropanol (HFIP) and DMSO, as well as transition states of tautomeric interconversion RNH−C(Me)=NTf ⇆ RN=C(Me)–NHTf (R = Me). The free energy barrier ΔG‡ for the equilibrium gradually decreases in going from monomers to H-complexes with DMSO, cyclic dimers, and H-complexes with HFIP. The X-ray analysis of crystals and FT-IR analysis of neat compounds and their solutions in the temperature range of 298–190 K was performed in comparison with the computed vibrational frequencies. The predominance of the E-syn and E-anti conformational isomers of the studied compounds and their cyclic and linear dimers is shown. For R = 2-norbornyl, the above tautomeric equilibrium in HFIP solution is shifted towards the NHTf form with lowering the temperature. [ABSTRACT FROM AUTHOR]

The aim of the present study was to increase the value of rice protein concentrate (RPC) by improving the functional properties of a preparation subjected to acetylation and analyze the impact of this chemical modification on chemical composition, digestibility, and protein patterning using SDS-PAGE electrophoresis and FT-IR spectroscopy. In the modified samples, the protein content increased (80.90–83.10 g/100 g cf. 74.20 g/100 g in the control). Electrophoresis revealed that the content of the main rice protein fractions (prolamin and glutelin) decreased as the concentration of the modifying reagent increased. Through spectroscopic analysis, wavenumbers, corresponding to the presence of proteins or lipids, aromatic systems, and carbohydrates, were observed. The use of acetic anhydride did not change the digestibility of the modified RPC significantly when compared to that of the control sample. The acetylation of the RPC caused a significant increase in its emulsifying properties at pH 8 (1.83–14.74%) and its water-binding capacity but did not have a statistically significant impact on the oil-absorption capacity. There was a slight increase in protein solubility and a decrease in foaming capacity in the modified RPC. [ABSTRACT FROM AUTHOR]

In this study, the principal component analysis-multivariate adaptive regression splines (PCA-MARS) technique was applied to efficiently predict the surface area in zeolites. Before building the MARS model, the data matrix obtained from infrared spectroscopy was subjected to robust principal component analysis (rPCA) and six principal component (PC) scores with the explained validation variance 97.983% were used as inputs to the MARS algorithm. The training set (72 × 6) was used to develop the rPCA-MARS model, and the efficiency of the proposed method was evaluated in terms of coefficient of determination (R²), R² estimated by generalized cross-validation (R²GCV), root mean square error of calibration (RMSEC), root mean square error of prediction (RMSEP), and mean absolute error (MAE). R², RMSEC, RMSEP, MAE, and R²GCV in the piecewise-linear rPCA-MARS model were 0.9976, 1.4166, 1.8370, 1.0120, and 0.9955, respectively. We proposed also to use varimax (Var) rotated of the significant principal components as input to the MARS algorithm (R² = 0.9964, RMSEC = 1.4214, RMSEP = 1.9031, MAE = 1.0511, and R²GCV = 0.9951). Upon viewing the PCA-Var-MARS results, we concluded that the obtained results are comparable with rPCAMARS results. In this study, principal component regression (PCR), partial least squares regression (PLSR), and support vector machine regression (SVMR) methods were also used for the quantitative determination of the surface area of zeolites. The RMSEP for PCR, PLSR, and SVMR was 11.5636, 8.7111, and 7.2426, respectively. Based on the results obtained, the MARS model is more reliable than commonly used regression models. It can be concluded that the rPCA-MARS method is an appropriate method for analyzing spectral data to determine the textural properties of zeolite. [ABSTRACT FROM AUTHOR]

At present, the use of by-products from plant food production is gaining more interest because these products contain a large amount of valuable nutritional compounds e.g. dietary fibre, proteins, polyphenols, unsaturated fatty acids, vitamins. The by-products improve both the nutritional profile and the health-promoting properties of bakery products but simultaneously impair some technological properties, which is strongly related to the structure of the gluten network. FT-IR spectroscopy was used to determine changes in the gluten structure through the addition of by-products from the vegetable industry and cold oil pressing production. The supplements were added to the common wheat dough in the amounts of 3, 6, 9 and 12%. Analysis of the spectra indicates that changes in the gluten structure and the distribution of water populations are connected with the type of technological process from which the supplement originated and hence its chemical composition. Vegetable supplements cause the formation of aggregated structures such as pseudo-βsheets, whereas gluten samples modified by oil supplements contain mainly basic secondary structures i.e. α-helices, β-turns and antiparallel-β-sheets. With regard to the water populations, oil supplements do not affect them or affect them slightly. Vegetable supplements lead to the formation of a weaker gluten network. This is observed in the form of a decrease in the number of strong hydrogen bonds. [ABSTRACT FROM AUTHOR]

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Authenticity and adulteration detection are primary concerns of various stakeholders, such as researchers, consumers, manufacturers, traders, and regulatory agencies. Traditional approaches for authenticity and adulteration detection in edible oils are time-consuming, complicated, laborious, and expensive; they require technical skills when interpreting the data. Over the last several years, much effort has been spent in academia and industry on developing vibrational spectroscopic techniques for quality, authenticity, and adulteration detection in edible oils. Among them, Fourier transforms infrared (FT-IR) spectroscopy has gained enormous attention as a green analytical technique for the rapid monitoring quality of edible oils at all stages of production and for detecting and quantifying adulteration and authenticity in edible oils. The technique has several benefits such as rapid, precise, inexpensive, and multi-analytical; hence, several parameters can be predicted simultaneously from the same spectrum. Associated with chemometrics, the technique has been successfully implemented for the rapid detection of adulteration and authenticity in edible oils. After presenting the fundamentals, the latest research outcomes in the last 10 years on quality, authenticity, and adulteration detection in edible oils using FT-IR spectroscopy will be highlighted and described in this review. Additionally, opportunities, challenges, and future trends of FT-IR spectroscopy will also be discussed. [ABSTRACT FROM AUTHOR]

Di-p-tolyl disulfides (p-Tol2S2) are employed as load-carrying additives because of their anti-wear and extreme load-bearing qualities. External pressure triggers conformational up-conversion (leads to phase transition) in the molecules of p-Tol2S2, by compensating for the stress and absorbing its energy. These features make p-Tol2S2 a potential candidate for next-generation energy storage devices. Upon lithiation, MoS2 expands up to 103% which causes stress and affects battery stability and performance. Therefore, it is essential to study these materials under different physical conditions. In this work, we used density functional theory (DFT) at ωB97XD/6-31G* functional level, to calculate lattice parameters, Gibbs free energies, and vibrational spectra of three phases (i.e., α, β, and γ) of p-Tol2S2 under different pressure and temperature conditions. The phase transition between phases α and β occurred at a pressure and temperature of 0.65 GPa and 463 K, respectively. Furthermore, phase transition between phases α and γ was found at a pressure and temperature of 0.35 GPa and 400 K, respectively. Moreover, no phase transition was observed between phases β and γ under the pressure range studied (0 GPa to 5.5 GPa). We also computed and compared the FT–IR spectra of the three phases. These results can guide scientists and chemists in designing more stable battery materials. [ABSTRACT FROM AUTHOR]

The aim of this work is to investigate the possibility of engineering desired molecular sp2 structures in graphene oxide, via controlled oxidation of graphite powder, in order to achieve tunable chemical and microstructural properties useful for optoelectronics or sensing applications. Specifically, GO powder is obtained by a modified Hummers method, by using different concentrations of potassium permanganate (KMnO4) in order to change the number of oxygen functionalities in the graphitic structure. Then, a successive alkaline treatment is performed by increasing the KOH concentration. The alkaline treatment induces a noticeable variation of the GO microstructural and chemical properties, which is accompanied by a strong enhancement of photoluminecence. PL and PLE measurements reveal that the configuration of electronic energy states changes as a function of the KMnO4 and KOH concentration, by introducing further electronic n levels available for n→π* transitions. In particular, the number of sp2 small domains embedded among oxygen–sp3 domains, increases under the KOH treatment, due to the addition of OH groups. Most of these sp2 domains are lifted-off from GO and thrown away in the surnatant giving it high blue photoluminescence excited at λexc ∼ 319 nm. The employ of combined spectroscopy techniques allows a deep investigation of the microstructural and chemical changes induced by chemical treatments, opening the way to the fine tuning of GO functional properties. Graphical Abstract [ABSTRACT FROM AUTHOR]

The membrane transport properties of lipophilic phosphorylated betaine, hexyl [(N-methyl-N,N-dioctylammonio)methyl]phosphonate, and of industrial extractant trioctylphosphine oxide were studied. The selectivity of the transport of rare-earth metal ions by both carriers was revealed. Hexyl [(N-methyl-N,N-dioctylammonio)methyl]phosphonate proved to be more effective than the industrial carrier with respect to triply charged rare-earth metal ions, in particular, lanthanum, neodymium, and europium ions. According to the IR spectral data, under the conditions of liquid-liquid extraction in 1,2-dichlorobenzene, complexes with singly and doubly charged metal ions are not formed, while complexation with rare-earth metal nitrates occurs with participation of the phosphonate moiety of the phosphorylated betaine; in the metal complexes, the nitrate anion acts as a counterion. [ABSTRACT FROM AUTHOR]

The emergence of new research methods in the field of heritage science always raises a large number of questions related to their applicability, reproducibility of results on similar objects, complementarity with other methods, and development of new research methods. To solve such problems, it is necessary to have a test object with the required structure. A multilayer test object based on a fragment of a copy of a 19th century painting by I.K. Aivazovsky was created and described. Analytical studies of the colourful layers were carried out on a Fourier-transform infrared (FT-IR) spectrometer with an attenuated total reflectance (ATR) attachment in single-reflection mode with a diamond crystal. As part of the use of one research method, differences between painting layers of the 19th and 20th centuries were revealed. Results are presented in the IR graphs. The aim of the work was to identify the characteristics of the pictorial layers inherent in the copy of the painting by I.K. Aivazovsky. This will improve the methodology of technological expertise of the I.K. Aivazovsky's artworks. [ABSTRACT FROM AUTHOR]

This work presents a study of the redox properties of CeO 2 particles with (FeCeHS) and without (CeHS) Fe 2 O 3 impregnation, as possible innovative catalysts for oxidation and combustion reactions as well as CO 2 activation. The topic, therefore, is part of a broader analysis of environmental catalysis, which aims to reduce the emissions of polluting substances and improve the exploitation of energy resources, with consequent progress in the eco-friendly field. Different laboratory techniques (Scanning Electron Microscopy (SEM), X-ray diffraction (XRD), Ultraviolet-Visible (UV-Vis), and Fourier Transform-Infrared (FT-IR) spectroscopies) point out that iron oxide is deposited on the surface of ceria, which maintains its lattice structure, although the particle morphology is slightly changed. Methanol and ethanol adsorption and conversion were evaluated on these catalysts by Temperature Programmed Surface Reaction (TPSR) and by in situ FT-IR spectroscopy of the probe redox properties, evidencing the formation of surface oxidized intermediates and combustion products. The FeCeHS catalyst demonstrates, in our reaction conditions, a good combustion activity in total oxidation of oxygenated molecules, hindering the formation of formaldehyde from methanol and reducing the quantity of CO produced by the partial oxidation reaction. A cooperative effect is suggested by the mixture of these two metals in the oxidation process.

Synthesis of nanocrystalline hydroxyapatite with high degree of crystallinity results in improved bioactivity responses due to its high specific surface area and low ion release. Therefore, the innovative methods resulting in these qualities are of significant importance especially for 3D printing of biomaterials and biocomponents made by hydroxyapatite. Addressing the qualities essential for bioperformance of hydroxyapatite, a new method was developed in this work, which is able to prepare impurity-free hydroxyapatite nanocrystals at ambient conditions. Characterization of role of processing conditions and their successive optimization resulted in a facile cost-effective process in contrast to the literature. Stoichiometric nanoscale hydroxyapatite free from by-products, unwanted materials (unwanted phase formation) and impurities was obtained by the approach. It was found that the longer drying time increases the crystallinity of the as-washed precipitate; however, to reach a high degree of crystallinity, application of a heat treatment process is essential. The designed short time heat treatment was able to enhance the crystallinity of the dried precipitate while its structure remained nanoscale after heat treatment. Keeping the nanoscale structure of the samples even after heat treatment allows using its benefits for improvement of biocompatibility, osteoconductivity and tissue in-growth of the biomaterials made by these nanoscale hydroxyapatite powder products. The results showed that the amino acid (glycine) has a significant effect on the crystallinity of the hydroxyapatite due to its effect on kinetic of hydroxyapatite crystallization (nucleation of new crystals) by enhancing the surface diffusion mechanism in the precipitate. In contrast, the glycine also controlled the growth process of the nucleated crystals by its adsorption on the growing surfaces and/or by introducing the strain to the growing crystals. These stresses controlled the growth of the nanocrystals and induced directional growth and morphological changes in the hydroxyapatite powder products.

Lipids are organic compounds that contribute to numerous cellular functions. Fourier Transform Infrared spectroscopy can be particularly useful in investigating the biochemical features of the lipid content of cells and their changes induced by interaction with physicochemical external agents. In the present work, we aim to investigate the extract of lipids from human cells to compare the results obtained by using two different geometries: transmission and attenuated total reflectance. Multiple acquisitions of spectra were carried out and statistical criteria were applied for monitoring and comparing them. The positive and negative aspects of the two examined acquisition modes are presented and discussed.

Previous work has demonstrated the relevance of Fourier Tr and IR investigation on gingival crevicular fluid (GCF) for monitoring orthodontic treatments. Previously, FT-IR spectra of GCF samples have been acquired in reflectance mode by dropping a few microliters of GCF on a reflecting support. A faster procedure for collecting GCF spectra can be obtained by exploiting the Attenuated Total Reflection (ATR) contact sampling method, which allows the collection of good-quality infrared spectra with almost no sample preparation. The objective of the present investigation is to validate the ATR approach for GCF analysis by comparing the spectra acquired in reflectance using the GCF samples extracted via paper cones versus those directly collected from the blotter, employing the ATR approach.

Chemists are pretty much acquainted with coordination compounds bearing carboxylate moieties. Nevertheless comprehensive literature on the subject correlating activity and toxicity with varied organotin(IV) carboxylates containing a diverse array of ligand moieties under identical experimental parameters is lacking. In view of the exciting structural and biological importance attributed to organotin(IV) compounds, the current research work involved synthesizing di- and triorganotin(IV) analogues of carboxylate ligand with hexyl aliphatic, aromatic and alicyclic backbone. The new organotin(IV) complexes with cyclohexane carboxylic acid (L1), benzoic acid (L2), and heptanoic acid (L3) were synthesized by the reaction of di- and triorganotin(IV) salts in the presence of trimethylamine as base. The coordination mode of ligand, structural confirmation and geometry assignment of complexes were established using FT-IR, 1H NMR and 13C NMR spectra. The IR data implied that in both di- and triorganotin(IV) carboxylates, the ligand moiety—(COO) acted as a bidentate group in solid state. 1H and 13C NMR data revealed that tri and diorganotin(IV) complexes occurred as monomeric entities with tetrahedral geometry around tin in solution. The synthesized complexes were also evaluated for their antibacterial and antifungal activity. The results showed that synthesized complexes have greater inhibition potential against different strains of bacteria and fungi compared with the corresponding free ligands. Triorganotin(IV) compounds were found to be more potent against tested bacterial and fungal strains than that of diorganotin(IV) derivatives, having moderate antioxidant activity. Most of the organotin(IV) complexes of benzoic acid were found to be more potent against strains of bacteria and fungi than that of corresponding complexes of other ligands showing that for a biological activity to be shown by a complex, the role of ligand was crucial. [ABSTRACT FROM AUTHOR]

Microwave-assisted hydrothermal synthesis is a simple, reproducible, rapid, and effective method, and therefore, has attracted considerable interest among scientists in the field of synthesis not only of iron oxide but also of other metal oxides. This method has been used for the synthesis of iron oxide nanoparticles, hematite (α-Fe2O3), and goethite (α-FeOOH) in strongly alkaline media with iron(III) chloride (FeCl3) as precursor under microwave emission of 850 W. In this work, the effect on the size, shape, and composition of the final product was investigated by changing the conditions, such as shortening the synthesis time, increasing the synthesis temperature, and adding various substances to the synthesis pathway. Samples synthesized at 200 °C for 20 min by increasing the added percentage of polyethylene glycol (PEG), sodium dodecyl sulfate (SDS), rosemary essential oil and lavender essential oil promote goethite-to-hematite transformation, while N-guanylurea sulfate (NGS) and sage essential oil behave differently. The aforementioned substances added at 260 °C resulted in a decrease in particle size, but pure hematite was obtained, regardless of the type of the substances added or the decrease in synthesis time from 20 min to 5 min. Furthermore, the use of essential oils rather than surfactants in this study was presented as a novel, environmentally friendly method of iron oxide synthesis. [ABSTRACT FROM AUTHOR]

The present study aimed at preparing novel free-radical scavenging and water-soluble compounds derived from gelatin. Specifically, gelatin–syringaldehyde, gelatin–anisaldehyde, and gelatin–vanillin were synthesized and thoroughly studied for their physicochemical properties. In particular, the compounds were characterized by UV-Vis spectroscopy, Fourier-transform infrared spectroscopy, and scanning electron microscopy. Notably, as demonstrated by thermogravimetry and differential scanning calorimetry, all three derivatives exhibited higher thermal stability than gelatin itself. Free-radical scavenging activities of the examined compounds were explored by (i) a standard spectrophotometric ABTS assay and (ii) an assay of oxidative degradation of hyaluronic acid monitored by rotational viscometry. We found that gelatin and gelatin–syringaldehyde demonstrated the highest efficacy in scavenging •OH radicals, whereas gelatin–anisaldehyde was the least effective. The efficacy of scavenging alkyloxy- and alkylperoxy-type free radicals via hydrogen-atom-transferring property was in the following order: gelatin > gelatin–vanillin > gelatin–syringaldehyde > gelatin–anisaldehyde. Electron-donor properties determined using the ABTS assay revealed the following order in one-electron reduction of ABTS•+: gelatin > gelatin–anisaldehyde > gelatin–vanillin > gelatin–syringaldehyde. [ABSTRACT FROM AUTHOR]

Aqueous tartaric acid-assisted sol--gel preparation technique was successfully applied to synthesise lithium aluminium molybdate with the initial composition of LiAl(MoO4)2. From the results of the thermal analysis and X-ray diffraction measurement, the effect of tartaric acid as a ligand on the formation of homogeneous gel precursor was discussed. Besides, X-ray diffraction also revealed the crystallisation of the final LiAlMo2O8 ceramic below the temperature of 400°C. It was found that the initial composition of obtained ceramic significantly affected the formation of the impurity phase defined as AlMo2O12. The Rietveld refinement of the crystalline samples showed the tendency of crystallites growing with the increase of heat-treatment temperature. Similar trends of particle growing were also observed in the images of scanning electron microscopy (SEM) for the corresponding samples heat-treated at different temperatures. Finally, the Fourier-transform infrared spectroscopy (FT-IR) revealed the effect of both the surface morphology and the crystallite size on the intensity of characteristic vibration of the corresponding chemical bonds. [ABSTRACT FROM AUTHOR]

Aqueous tartaric acid-assisted sol--gel preparation technique was successfully applied to synthesise lithium aluminium molybdate with the initial composition of LiAl(MoO4)2. From the results of the thermal analysis and X-ray diffraction measurement, the effect of tartaric acid as a ligand on the formation of homogeneous gel precursor was discussed. Besides, X-ray diffraction also revealed the crystallisation of the final LiAlMo2O8 ceramic below the temperature of 400°C. It was found that the initial composition of obtained ceramic significantly affected the formation of the impurity phase defined as AlMo2O12. The Rietveld refinement of the crystalline samples showed the tendency of crystallites growing with the increase of heat-treatment temperature. Similar trends of particle growing were also observed in the images of scanning electron microscopy (SEM) for the corresponding samples heat-treated at different temperatures. Finally, the Fourier-transform infrared spectroscopy (FT-IR) revealed the effect of both the surface morphology and the crystallite size on the intensity of characteristic vibration of the corresponding chemical bonds. [ABSTRACT FROM AUTHOR]

Abstract—In this work infrared attenuated total reflection spectroscopy (ATR IR spectroscopy) was used to study changes in the chemical structure of fine particles of brown and bituminous coals during heat treatment at temperatures up to 350°C in an air atmosphere and with a limited amount of air. Additionally, the thermal effects occurred during the coal processing in this temperature range under similar atmospheric conditions were investigated. It is shown that the bituminous coal samples have noticeable changes in the chemical composition starting from temperatures of 200°C when treated in air, and from 250°C for samples obtained in conditions without air access. Meanwhile, the IR spectra of brown coal samples demonstrate changes starting from temperatures of 200°C regardless of atmospheric processing conditions. Differential scanning calorimetry (DSC) in combination with thermogravimetry (TG) allowed to estimate the quantitative content, thermophysical parameters and the nature of the moisture in the samples. [ABSTRACT FROM AUTHOR]

Gentiana Genus, a herb mainly distributed in Asia and Europe, has been used to treat the damp heat disease of the liver for over 2000 years in China. Previous studies have shown significant differences in the compositional contents of wild Gentiana Genus samples from different geographical origins. Therefore, the traceable geographic locations of the wild Gentiana Genus samples are essential to ensure practical medicinal value. Over the last few years, the developments in chemometrics have facilitated the analysis of the composition of medicinal herbs via spectroscopy. Notably, FT-IR spectroscopy is widely used because of its benefit of allowing rapid, nondestructive measurements. In this paper, we collected wild Gentiana Genus samples from seven different provinces (222 samples in total). Twenty-one different FT-IR spectral pre-processing methods that were used in our experiments. Meanwhile, we also designed a neural network, Double-Net, to predict the geographical locations of wild Gentiana Genus plants via FT-IR spectroscopy. The experiments showed that the accuracy of the neural network structure Double-Net we designed can reach 100%, and the F1_score can reach 1.0. [ABSTRACT FROM AUTHOR]

The title compound, [Cu2(C7H4NO4)4(C3H7NO)2]·(C3H7NO)2, is a binuclear copper(II) complex located on an inversion center midway between the two copper(II) cations. The asymmetric unit consists of one CuII cation, two 3-nitrobenzoato ligands, and two dimethylformamide (DMF) molecules, one of which coordinates to the CuII cation and one is a solvate molecule. The carboxylate groups of the ligands bridge two CuII cations with a Cu—Cu distance of 2.6554 (6) Å, completing a distorted octahedral O5Cu coordination environment. The dihedral angles between the carboxylate and the aromatic ring planes of the two independent ligands are different from one another, viz. 5.2 (3) and 23.9 (3)°. The three-dimensional structure is consolidated by weak C—H...O interactions and stabilized by π–π stacking interactions between the aromatic rings. The complex and the free ligand were further characterized by Fourier-transform infrared spectroscopy (FT–IR), and the energies of the frontier molecular orbitals of the complex were determined by DFT calculations at the B3LYP/def2-TZVP level of theory.

An increasing number of methods for extracting microplastic particles from marine sediments have been published but without evaluating the extraction efficiency. Furthermore, while most of the procedures developed have been applied to sandy sediments from shallow water habitats, specific and standardized procedures for deep-water sediments (> 200 meters deep) are limited. In this study, we describe a specific protocol for extracting microplastics (2- 1000 µm) from deep-sea sediments and for quantifying and identifying them. We also assessed its extraction efficiency, which resulted in a high recovery (on average ca. 60%, and up to 80%) particularly, for polyethylene, polypropylene, and polystyrene. This method can be applied to all fine-grained/muddy sediments and allows the extraction of even the smallest fraction of microplastics (

• IR spectra are investigated as a function of temperature for three liquid crystalline compounds with zero, one and two fluorine atoms substituted to the benzene ring. • DFT calculations with the BLYP functional with Grimme's 3rd generation of semi-empirical dispersion corrections and Becke-Johnson damping, and def2SVP basis set are used for the band assignment and estimation of dipole moments. • For the compound not-fluorosubstituted in the aromatic core, the B3LYP functional and def2TZVPP basis set are also tested for the band assignment. • Scaling coefficients between the experimental and calculated absorption band positions are determined. The IR spectra of three liquid crystalline compounds, differing only by the number of fluorine atoms in the molecular core, are investigated. The DFT+D3/BLYP-def2SVP calculations for isolated molecules are applied for the band assignments of the experimental IR spectra collected in the crystal phase. Additional DFT calculations, including the B3LYP exchange-correlation functional and def2TZVPP basis set, are also performed for the compound without the fluorine atoms in the molecular core. The scaling factors between the experimental and calculated peak positions, obtained at different levels of theory, are compared. For all compounds, the absorption bands assigned to the C=O stretching vibrations are analyzed as a function of temperature in the isotropic liquid, smectic phases, and crystal phase. The formation of hydrogen bonding involving the C=O groups during crystallization is inferred. The differences in the crystallization temperature of three compounds and the presence of the hexatic smectic phase for only one compound are discussed. [ABSTRACT FROM AUTHOR]

[Display omitted] • Influence of strontium on structural features of iron-phosphate glasses determined. • Charge compensating role of strontium described. • Maximum SrO waste loading estimated. • Inhomogeneity of glass network proposed. Iron-phosphate glasses are a wide group of materials with a wide range of applications. Among others, they are promising materials in toxic waste vitrification because of their high chemical durability and relatively low processing temperature and time. They are a novel group of glasses that are considered in the vitrification of radioactive waste, especially those that cannot be treated using conventional borosilicate ones. Since strontium isotopes are one of the main fission products present in the waste, the influence of Sr on the structural properties of the glasses is an important factor. Strontium-containing iron-phosphate glasses were subjected to structural studies using FT-IR and Raman spectroscopies. The obtained spectra were described, and appropriate band assignments were done. Based on the research conducted, the structural features of the phosphate network and their changes were determined. The results obtained showed that strontium in relatively low content up to 20 mol% acts as the glass network charge compensator and can stabilize the network. Above this threshold, SrO can be treated as a pure modifier, leading to gradual depolymerization. Thus, this point may be treated as the maximum waste loading for effective strontium immobilization. [ABSTRACT FROM AUTHOR]

• The study aimed to identify drivers of SOM stabilization and composition. • MAOC concentration was the function of bulk SOM aromaticity and slope steepness. • Land use reflects the elemental composition (C/N) of the SOM. • SOM aromaticity is rather related to soil and climate properties. Soil organic matter (SOM) concentration and composition are essential properties that affect most functions and ecosystem services. The relationship between soil and environmental covariates regarding SOM concentration and composition in various pools is not completely understood. This study aimed to identify the most influential drivers of SOM stabilization, focusing on arable lands in Hungary. Hungary is an ideal area for investigating SOM variability because it is at the meeting point of the three main climate effects that trigger a wide range of soil, land use, and topographical conditions. Overall, 87 soil samples were taken from the topsoil (2–20 cm) and fractionated (<20 µm) to separate the mineral phase-associated organic carbon (MAOC) and bulk pools. MAOC concentration varied on a wide range (0.5–14.1 %) and was the function of bulk SOM aromaticity and slope steepness, rather than land use, climatic conditions, or soil properties, indicating that MAOC is also affected by decomposition if the bulk OM is less available for the microbiome. Land use, especially in forest topsoils, reflects the elemental composition of the OM, focusing on the variations of residue composition. In contrast, aromaticity is rather related to soil and climate properties, suggesting increased relevance of transformation processes. As a consequence, SOM composition varies on a wide range in the topsoil, however, the lack of a definite trend at the county level suggests the complexity of the system and highlights the role of local circumstances. [ABSTRACT FROM AUTHOR]

Tuna fish oil (TO) is a valuable source of omega fatty acids and polyunsaturated fatty acids required for human growth and development. Triggered by economic reasons, TO can potentially be adulterated with pork oil (PO), which has a lower price. The adulteration is a serious problem because PO is a non-halal oil, which is truly prohibited to be consumed, especially for Muslim. This research aimed to develop an effective and efficient analytical technique for detecting PO adulteration in TO using Fourier transform infrared (FT-IR) spectroscopy aided by machine learning techniques. Various machine learning techniques were developed, including linear regression, support vector machine (SVM), k-nearest neighbor (kNN), artificial neural network (ANN), and gradient boosting. The result showed that SVM at the fingerprint region (1400–900 cm−1) demonstrated the best model to detect and predict PO in TO with the highest R2 (0.993) and the lowest root mean square error (RMSE) of 2.719 %. All levels of PO contained in TO could be accurately predicted, as indicated by the closeness between the actual value and predicted value of PO levels predicted by the model. In conclusion, machine learning could be a promising tool for detecting adulterants in fish oil samples. Further research on method standardization is important to propose the method as the method of choice for fish oil authentication, including halal authentication. [ABSTRACT FROM AUTHOR]

The drug–DNA interaction study has significant role in pharmacology and helps to determine drug action mechanisms. Interaction of Salmon sperm DNA (D1626) immobilized on glassy carbon electrode (GCE) with metronidazole (MTZ) was investigated by employing constant current Potentiometry, UV‑Visible and FT-IR spectroscopic techniques. The decline in the peak area and current typically of guanine base with an increase in MTZ concentration was employed as analytical signal to investigate MTZ interaction with DNA. Acetate buffer solutions were used with pH values ranging from 4.0 to 8.0. The linear segment increased from 3 × 10–4 to 1.5 × 10−3 M. It was observed that 8.05 × 10−6 M concentration of metronidazole (MTZ) (three minutes accumulation time) can be detected by use of this methodology. Reduction in oxidation potential for immobilized DNA (0.89 to 0.86 V) was noted after three minutes time of interaction. 5.5 × 103 M–1 binding constant (K) value was observed for MTZ drug. Hypochromic and hypsochromic shifts in the maximum adsorption bands of MTZ were observed in UV-Visible studies. The IR spectrum of MTZ–DNA complex comparison of DNA revealed spectral changes in several prominent DNA vibrations in terms of intensity compared to that of shift that reflected the weak (electrostatic) mode of interaction of MTZ with DNA. The present project aims to appraise and deliver some basic information of the employed technique to outline its application in order to estimate the pharmaceutically active compounds in their biological fluids and dosage forms. [ABSTRACT FROM AUTHOR]

The potential of Fourier transform infrared (FT-IR) spectroscopy, multispectral imaging (MSI), and electronic nose (E-nose) was explored in order to determine the microbiological quality of gilthead sea bream (Sparus aurata) fillets. Fish fillets were maintained at four temperatures (0, 4, 8, and 12 °C) under aerobic conditions and modified atmosphere packaging (MAP) (33% CO2, 19% O2, 48% N2) for up to 330 and 773 h, respectively, for the determination of the population of total viable counts (TVC). In parallel, spectral data were acquired by means of FT-IR and MSI techniques, whereas the volatile profile of the samples was monitored using an E-nose. Thereafter, the collected data were correlated to microbiological counts to estimate the TVC during fish fillet storage. The obtained results demonstrated that the partial least squares regression (PLS-R) models developed on FT-IR data provided satisfactory performance in the estimation of TVC for both aerobic and MAP conditions, with coefficients of determination (R2) for calibration of 0.98 and 0.94, and root mean squared error of calibration (RMSEC) values of 0.43 and 0.87 log CFU/g, respectively. However, the performance of the PLS-R models developed on MSI data was less accurate with R2 values of 0.79 and 0.77, and RMSEC values of 0.78 and 0.72 for aerobic and MAP storage, respectively. Finally, the least satisfactory performance was observed for the E-nose with the lowest R2 (0.34 and 0.17) and the highest RMSEC (1.77 and 1.43 log CFU/g) values for aerobic and MAP conditions, respectively. The results of this work confirm the effectiveness of FT-IR spectroscopy for the rapid evaluation of the microbiological quality of gilthead sea bream fillets. [ABSTRACT FROM AUTHOR]

Microalgae have emerged as promising biosorbents for the removal of toxic metals from industrial effluents due to the presence of various free functional groups. While the constitutes are distinct among different algal strains, it needs to screen the algae with high adsorption capacities for heavy metal ions by analyzing the algal components. In this study, a rapid and nondestructive Fourier transform infrared (FTIR) method combined PCA algorithm was used to discriminate algal strains according to their cellular components. With FTIR spectroscopy, we have found that the algal strains for high copper adsorption capacity (RH44, XS58, AH53, and RZ22) can be well differentiated from other strains via assessing the components involved in the biosorption of copper ions at the spectral window range of 1,200-900 cm-1 mainly attributed to polysaccharides. Correspondingly, the copper removal efficiency by different Spirulina strains was also measured by biochemical assay and scanning electron microscopy (SEM) in order to confirm the screening result. Compared with the chemical measurement, the assessment based on spectral features appears fairly good in the evaluation and differentiation of copper adsorption capacity in various Spirulina strains. This study illustrates that FTIR spectroscopy may serve as a fast and effective tool to investigate the functional groups for copper ions binding in the Spirulina cell and it even offers a useful and accurate new approach to rapidly assess potential adsorbents for the high capacity of copper adsorption. [ABSTRACT FROM AUTHOR]

Gelatin, due to its gelling and stabilizing properties, is one of the widely used biopolymers in biotechnology, medicine, pharmaceuticals, and the food industry. One way to modify the characteristics of gelatin is molecular modification by forming non-covalent polyelectrolyte complexes with polysaccharides based on the self-organization of supramolecular structures. This review summarizes recent advances in the study of various types and the role of intermolecular interactions in the formation of polysaccharide-gelatin complexes, and conformational changes in gelatin, with the main focus on data obtained by spectroscopic methods: UV, FT-IR, and 1H NMR spectroscopy. In the discussion, the main focus is on the complexing polysaccharides of marine origin-sodium alginate, κ-carrageenan, and chitosan. The prospects for creating polysaccharide-gelatin complexes with desired physicochemical properties are outlined. [ABSTRACT FROM AUTHOR]

The egg is a basic food whose consumption, directly or indirectly, is present almost daily in the diet of people who have not adopted a vegan or exclusively vegetarian food style. This food is approved, on the one hand, due to the fact that it is a complete source of essential amino acids, but also of numerous microelements and water-soluble and fat-soluble vitamins, and on the other hand, it is avoided due to its lipid content. The fat content of the egg should be assessed from the point of view of the proportion of saturated and unsaturated fats, the ratio between them and the cholesterol content. Any evaluation must take into account the fact that the nutritional properties of the egg can be influenced by the breed of the hen, its living conditions and the diet administered. Thus, a standardized approach to the benefits and risks of egg consumption is extremely difficult in the current legislative context that regulates and assigns certain risks of egg consumption only depending on the living conditions and the principles of the type of feed administered to the laying hens. [ABSTRACT FROM AUTHOR]

The effect of synthesis conditions on the features of the long- and short-range order of Ln 2 (WO 4 ) 3 (Ln = Gd, Dy, Ho, Yb) powders synthesized via coprecipitation of salts has been studied by a complex of physico-chemical techniques including synchrotron X-ray powder diffraction, X-ray absorption spectroscopy, Raman and infrared spectroscopy, and simultaneous thermal analysis. It was found that crystallization of amorphous precursors begins at 600 °C/3 h and leads to the formation of the monoclinic structure with sp. gr. C12/c1(15) for Ln 2 (WO 4 ) 3 (Ln = Gd, Dy) and with sp. gr. P12 1 /a1(14) for Ln = Yb, whereas crystallization of Ho precursor requires even higher temperature. After annealing at 1000 °C, the P12 1 /a1(14) phase becomes the dominant phase component for all heavy lanthanoid types except for Ln = Gd. It was shown that the Ln (Ln = Dy, Ho, and Yb) tungstates with the P12 1 /a1(14) monoclinic structure correspond to trihydrates Ln 2 (WO 4 ) 3 ·3H 2 O formed due to a rapid spontaneous hydration under ambient conditions. It was concluded that the proneness to hydration is due to a specific structure of the P12 1 /a1(14) phase with large voids available to water molecules. Modifications in the local structure of Ln-O coordination shell accompanying the structure type change and hydration are monitored using EXAFS spectroscopy. [ABSTRACT FROM AUTHOR]

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The structural effects of vitamin A‐deficiency were examined on the molecular profiles of biomolecules of male rat hippocampus during prolonged ethanol intake/withdrawal using FT‐IR spectroscopy coupled with chemometrics. Liquid ethanol diet with/without vitamin A was maintained to adult rats for 3‐months. The rats were decapitated at different ethanol withdrawal times and FT‐IR spectra were obtained. Ethanol consumption/withdrawal produced significant changes in proteins' conformations, while having insignificant structural effects on lipids. In vitamin A deficiency, ethanol produced structural changes in lipids by lipid ordering especially in the early‐ethanol withdrawal. Furthermore, an increase in lipid and protein content, saturated/unsaturated lipid ratio, a decrease in nucleic acids content and decrease in membrane fluidity were observed. These changes were less severe in the presence of Vitamin A. This study is clinically important for individuals with vitamin A deficiency because they have to be more cautious when consuming alcohol to protect themselves from cognitive dysfunctions. [ABSTRACT FROM AUTHOR]

Optimization of recombinant protein expression in bacteria is an important task in order to increase protein yield while maintaining the structural fidelity of the product. In this study, we employ Fourier transform infrared (FT-IR) spectroscopy as a high throughput metabolic fingerprinting approach to optimize and monitor cytochrome b 5 (CYT b 5) production in Escherichia coli N4830-1, as the heterologous host. Cyt b5 was introduced as a plasmid with between 0 and 6 copies under a strong promoter. The FT-IR spectroscopy results combined with multivariate chemometric analysis illustrated discriminations among culture conditions as well as revealing features that correlated to the different cytb 5 gene copy numbers. The second derivative of the FT-IR spectral data allowed for the quantitative detection of Cyt b5 directly inside the intact cells without the need for extraction, and highlighted changes in protein secondary structure that was directly correlated to the cytb 5 gene copy number and protein content, and was in complete agreement with quantitative findings of standard traditional techniques such as SDS–PAGE and western blot analysis. [ABSTRACT FROM AUTHOR]

The polyvinyl chloride (PVC) industry relies heavily on material property testing during the development of a product. Many of these testing procedures are outdated and time‐consuming, resulting in high financial input. Non‐destructive, fast, easy‐to‐use testing methods can significantly reduce the time required to quantify raw materials. We explored alternative analysis techniques, Fourier transform‐infrared (FT‐IR) and micro‐Raman spectroscopy to quantify the main components within a plasticised PVC (pPVC) compound with dioctyl terephthalate (DOTP) plasticizer and calcium carbonate filler. This can reduce costs in the testing and development of new products up to 50%. We prepared 36 samples with varying proportions of DOTP and calcium carbonate and analyzed them using a Raman Microscope and FT‐IR Spectrometer. We found a strong correlation (R2 = 0.923) between DOTP and FT‐IR spectroscopy data, as well as a strong correlation (FT‐IR R2 = 0.910; Raman R2 = 0.813) between the calcium carbonate and data obtained with both spectroscopies. We reported for the first‐time correlations that could be used to determine the raw material levels within pPVC provided by both techniques. Five samples were then made and tested, showing some success in the quantification. This study provided a solid baseline for reducing the time taken to make a recommendation from >168 h to <1 h and therefore reducing the costs of product development by up to 50%. [ABSTRACT FROM AUTHOR]

Strombidae strombus seashells have been used as calcium precursors to prepare nanocrystalline hydroxyapatite (HAp) via a wet chemical route. The as-prepared HAp powder has been investigated by scanning electron microscopy, energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction, Raman spectroscopy, Fourier transform infrared spectroscopy (FT-IR), and complex impedance spectroscopy to examine the morphology, elemental composition, crystal structure, functional groups, and electric properties. The synthesized HAp exhibits a single and nanocrystalline (23 nm crystallite size) hexagonal structure with lattice parameters a = 9.3819 ± 10–4 Å and c = 6.8927 ± 10–4 Å. FT-IR and Raman spectroscopy results confirm the presence of P−O, O− H, and C−O bonds. The AC conductivity is frequency and temperature-dependent. The activation energy values are in the range of 0.238−0.319 eV, and the conduction mechanism proceeds by proton hopping. The Nyquist plots are modeled by an equivalent circuit composed of (Rg//CPEg) + (Rgb//L//CPEgb) elements. [ABSTRACT FROM AUTHOR]

In this study, Fourier transform near-infrared (FT-NIR) and infrared (FT-IR) spectroscopy was employed to detect the level of adulteration of Arenga pinnata sugar (AS) with coconut sugar (CS). Various concentrations of CS ranging from 0 to 100% were added to AS, and the absorbance spectra of the resulting mixtures were measured by FT-NIR and FT-IR. The spectra were pre-processed via the normalization, standard normal variate, multiplicative scatter correction, and baseline methods and then analyzed using partial least-squares regression. The best models were obtained by applying the multiplicative scatter correction method to the FT-NIR spectra and the normalization method to the FT-IR spectra. Overall, the FT-IR spectra yielded higher determination coefficients and lower error values compared with the FT-NIR spectra. The results confirm the potential use of FT-IR spectroscopy for detecting CS adulteration in AS. [ABSTRACT FROM AUTHOR]