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Featured Application: ATR-FT-IR coupled with chemometrics for the assessment of geographical origin of Italian almonds. Almonds are the seeds of the almond (Prunus Amygdalus) tree and are a nut consumed worldwide. The present study utilized the ATR FT-IR technique followed by a chemometric analysis to develop predictive models for determining the geographical origin of almonds from three regions in Southern Italy (Apulia, Calabria, and Sicily). IR spectra were collected on both the almond shell and the edible kernel to accurately characterize the three different geographical origins. The spectroscopic data obtained were processed using Soft Independent Modeling of Class Analogies (SIMCA) and Partial Least Squares Discriminant Analysis (PLS-DA). Both SIMCA and PLS-DA revealed that the shell spectra are more useful for assessing the geographical origin of samples. In particular, the PLS-DA model applied to these data achieved a 100% correct classification rate (on the external test set of individuals) for all the investigated classes. [ABSTRACT FROM AUTHOR]

Using green synthesis methods to produce halophytic nanoparticles presents a promising and cost-effective approach for enhancing plant growth in saline environments, offering agricultural resilience as an alternative to traditional chemical methods. This study focuses on synthesizing zinc oxide (ZnO) nanoparticles derived from the halophyte Withania somnifera, showcasing their potential in ameliorating tomato growth under salinity stress. The biosynthesis of ZnO nanoparticles was initially optimized (i.e., salt concentration, the amount of plant extract, pH, and temperature) using a central composite design (CCD) of response surface methodology (RSM) together with UV–Vis spectroscopy, Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and dynamic light scattering (DLS) to comprehensively characterize the biosynthesized ZnO NPs. The central composite design (CCD) based response surface methodology (RSM) was used to optimize the biosynthesis of ZnO nanoparticles (NPs) by adjusting salt concentration, plant extract, pH, and temperature. The ZnO NPs were characterized using UV–Vis spectroscopy, Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and dynamic light scattering (DLS). FT-IR showed an absorption peak of ZnO between 400 and 600 cm−1, while SEM showed irregular shapes ranging between 1.3 and 6 nm. The data of EDX showed the presence of Zn (77.52%) and O (22.48%) levels, which exhibited the high purity synthesized ZnO under saline conditions. Introducing ZnO nanoparticles to tomato plants resulted in a remarkable 2.3-fold increase in shoot length in T23 (100 mg/L ZnO nanoparticles + 50 mM NaCl). There was an observable increase in foliage at T2 (20 mg L−1 ZnO) and T23 (100 mg L−1 ZnO-NPs + 50 mM NaCl). Tomato plants treated with T2 (20 mg L−1 ZnO) and T23 (100 mg L−1 ZnO-NPs + 50 mM NaCl) improved root elongation compared to the control plant group. Both fresh and dry leaf masses were significantly improved in T1 (10 mg L−1 ZnO) by 7.1-fold and T12 (10 mg L−1 ZnO-NPs + 100 mM NaCl) by 0.8-fold. The concentration of Zn was higher in T12 (10 mg L−1 ZnO NPs + 100 mM NaCl) among all treatments. Our findings prove that utilizing ZnO nanoparticles under saline conditions effectively promotes tomato plants' growth, thereby mitigating the negative impacts of salt stress. [ABSTRACT FROM AUTHOR]

A rapid and straightforward classification of rice qualities or detection of food adulteration is necessary to meet the increasing demand of high quality rice, and to protect the consumers and supply chains from food fraud. Raman spectroscopy coupled with chemometrics have been used for multivariate analysis of rice quality and fraud detection. Supervised Kohonen Map (SKM) can classify different rice samples with low errors of Venetian-Blind (= 0.04) and Monte-Carlo (= 0.05) cross validation using the Raman spectral region of 200–1600 cm−1. The classification performance of the FT-IR was examined and compared with those of Raman. For comparison, principal component analysis–linear discriminant analysis (PCA-LDA), classification and regression trees (CART), soft independent modeling by class analogy (SIMCA), and partial least squares-discriminant analysis (PLS-DA) techniques were also used for both Raman and FT-IR spectra. The top-5 classification models are "SKM + multiplicative scatter correction (MSC)" > "SKM + standard normal variate (SNV)" ~ "CART + MSC" > "SIMCA + MSC" > "SIMCA + SNV". The proposed procedure showed better results than previous studies which can help both the industry and regulatory quality control to rapidly detect rice integrity and food fraud. [ABSTRACT FROM AUTHOR]

Due to the emergence of resistance of the commonly used synthetic pesticide, vector control is in grave danger. Application of biocontrol agents may be a suitable alternative approach in vector control. The purpose of this study was to evaluate the larvicidal effectiveness of crude and methanolic fruit extracts of Diospyros kaki against Culex quinquefasciatus, the carrier of human filarial worm. The methanol extract showed promising result in biocontrol assay than crude extract. The methanolic extract had the LC50 and LC90 values of 46 ppm and 186 ppm, respectively against 1st instar larvae after 72 hours of exposure, The rate of mortality was positively associated with the solvent extracts in increasing concentrations, having a regression coefficient value near to 1 in each case, showing a definite positive dose-dependent mortality. During chemical characterization of the solvent extract by GC-MS and FT-IR studies, some bioactive compounds like 5,8,11,14,17-Eicosapentaenoic Acid, Methyl 4,7,10,13,16,19-Docosahexaenoate, cyclotrisiloxane hexamethyl and Arsenous acid, tris(trimethylsilyl) ester were identified that showed the larvicidal activity against mosquito larvae either singly or jointly. Thus, D. kaki fruit extract showed excellent potential as a bio control agent for Cx. quinquefasciatus and the isolated bioactive phytochemical may be utilized as a source of a powerful insecticide.

Turmeric powder (Curcuma longa L.) is often used for food coloring and flavoring. The high demand for turmeric powder has led to adulteration, one of which is metanil yellow. This study aims to detect metanil yellow dye in turmeric powder using Infrared Spectroscopy (FT-IR) and Chemometrics. The chemometrics model was built by preparing turmeric powder and metanil yellow in the concentration range of 0-50% (w/w). Data was processed using multivariate calibration using OPLS-DA (Orthogonal Partial Least Squares Discriminant Analysis) and PLS (Partial Last Square). The results obtained from OPLS-DA processing of market samples 1 and 2 are estimated to be pure turmeric powder, and samples 3 to 10 are adulterated. From the PLS results, the best calibration model was obtained at wave numbers 1199-539 cm-1 with R2 values for calibration and validation of 0.9967 and 0.9970, respectively, with RMSEC of 2.48 and RMSEP of 6.35. The PLS results showed that in sample 3 containing metanil yellow, in samples 4 to 10, no metanil yellow was detected. The ingredients added were not metanil yellow. It was concluded that FTIR combined with chemometrics could detect the metanil yellow in turmeric powder.

Fourier Transform Infrared Spectroscopy (FT-IR) and High-Performance Liquid Chromatography (HPLC) could be applied to study the provenance of wood, specifically the differentiation of wood resources, as well as the identification of chemical compounds that are connected to the changes that occur in wood as a result of drying treatments. To test this hypothesis, the bark of silver fir (Abies alba Mill.) from trees belonging to seven different geographical provenances was studied, using samples dried at three different temperatures (60, 80, and 100 °C). FT-IR spectroscopy revealed different band assignments in the mid-infrared region depending on fir provenances, whereas the vibrational bands of the biomass functional groups tended to shift to lower wavenumbers. Significant differences were identified between the chemical compounds in the bark depending on the provenances. The largest proportion of the total phenolics was represented by the epicatechin gallate, epicatechin, catechin, and procyanidin dimer B1. Exploratory data analysis was performed using principal component analysis (PCA), hierarchical clustering, and Pearson correlations. This allowed a comparative evaluation of the samples and interpret the findings according to the geographical provenances, respectively ecological conditions in the areas of origin, but also the influence of the drying temperatures of the samples on chemical compounds. The precipitation in the areas of origin decreased total phenolics in silver fir bark samples, and total phenolics differed not only due to the geographic provenance, but also due to drying temperature.

Abstract Background Exopolysaccharides (EPSs) produced by microbes are recognized as biomacromolecules of great significance. EPSs from fungi are widely used in a variety of biotechnological fields, including medicine, bioremediation, and agriculture. Results In this study, ten fungal isolates were isolated from Kafir El-Dair, Qalubia Governorate, Egypt. Isolate 5 produced more exopolysaccharides than the other examined fungi. According to microscopic morphological traits and genetic confirmation by the 18S rRNA gene, isolate 5 was identified as Fusarium nygamai strain AJTYC1. The present study showed that Czapek’s broth media, which contains 6 g/100 ml of sucrose, 10 g/100 ml of peptone, pH 6, and 1.8 × 105 CFU/ml of inoculum size and is incubated at 30 °C for 9 days, was suitable for the production of EPSs from Fusarium nygamai strain AJTYC1 by using static conditions. Fourier transform infrared (FT-IR) was employed in the characterization of EPSs, which exhibited the presence of carboxyl groups, hydroxyl groups, carbonyl groups, and glycosidic bonds. High-performance liquid chromatography (HPLC) detected that EPSs consist of sucrose and glucose. The scavenging activity indicates that EPSs have good antioxidant activity. The partially purified exopolysaccharides produced from F. nygamai strain AJTYC1 exhibited excellent antioxidant and antimicrobial activity against gram positive, gram negative and fungal strains. The EPSs at a dose of 1000 µg/ml exhibited anticancer activity against colorectal colon cancer (HCT116), breast cancer (MCF7), and hepatocellular cancer cell lines. Moreover, EPSs is an effective emulsifier of a variety of vegetable oils, and the emulsion it produces is generally stable for up to 168 h. Conclusions The production of EPSs from F. nygamai strain AJTYC1 can be used as antioxidants, antimicrobials, anticancer, and emulsifiers.

An artificial neural network (ANN) was used to predict the removal efficiency of Cr(VI), Ni(II), and Cu(II) ions on riverbed sand containing illite/quartz/kaolinite/montmorillonite (IQKM) clay minerals. The effect of operational parameters such as initial metal ion concentration (10–100 mg/L), initial pH (2–10), adsorbent dosage (0.025–0.15 g/L), contact time (15–90 min), agitation speed (100–800 rpm), and temperature (303–323 K) is studied to optimize the conditions for greatest removal of metal ions. Employment of equilibrium isotherm models for the description of adsorption capacities for IQKM explored better efficiency of the Langmuir model for the best representation of experimental data with the highest adsorption capacity of 8.802, 7.5125, 6.608 mg/g for Cr(VI), Ni(II), and Cu(II) ions in the solution. The kinetics of the proposed adsorption processes efficiently followed pseudo-second-order and intraparticle diffusion kinetic models. . HIGHLIGHTS IQKM was used as an adsorbent for the removal of Cr(VI), Ni(II), and Cu(II) ions from an aqueous solution.; FT-IR, XRD, SEM EDAX, and BET were performed to confirm the clay minerals.; An artificial neural network (ANN) was used to predict the removal efficiency of Cr(VI), Ni(II), and Cu(II) ions.; The maximum adsorption capacity of IQKM is 8.802, 7.5125, and 6.608 mg/g for Cr(VI), Ni(II), and Cu(II) ions in the solution.;

Aiming at solving difficulties related to aero-engine classification and identification, two telemetry Fourier transform infrared spectrometers are utilized to measure the infrared spectra of six types of aero-engine hot jets, and create a spectral data set, which is divided into a training set (80%), a validation set (10%), and a prediction set (10%). A peak-finding Siamese convolutional neural network (PF-SCNN) is used to match and classify the spectral data. During the training stage, the Siamese convolutional neural network (SCNN) is designed to extract spectral features and calculate the distance similarity. In order to improve the efficiency of the SCNN, a peak-finding method is introduced to extract the spectral peaks, which are used to train the model instead of the original spectral data. During the prediction stage, the trained model is used to calculate the similarity between the prediction set and the combined set of the training set and validation set, and the label of the most similar training data in each prediction set is used as the prediction label. The performance measures of the classification results include accuracy, precision, recall, confusion matrix, and F1-score. The experimental results show that the PF-SCNN can achieve a high classification accuracy rate of 99% and can complete the task of classifying the infrared spectra of aero-engine hot jets.

The research addresses challenges in food safety related to the migration of contaminants from plastics to food. It focused on the physicochemical and sensory degradation of olive oils packaged in polyethylene terephthalate (PET) and subjected to thermal exposure at 40 °C and 60 °C for several weeks and a subsequent 12 months of storage, as well as the stability and migration of compounds from the PET packaging itself. Olive oils (OO) from Spanish supermarkets (a mixture of refined and virgin, with commercial identifications of mild and intense) were selected and subjected to thermal treatments at 40 °C and 60 °C for 1, 2, and 3 weeks, followed by 12 months of storage. The treatments were conducted through the following two independent experiments: Experiment A focused on immediate analysis post-thermal treatment, while Experiment B included a 12-month storage period post-thermal treatment. The presence of antimony (Sb) was analyzed using acid digestion with nitric acid (HNO3) and high-resolution inductively coupled plasma mass spectrometry (HR-ICP-MS), while the metals cadmium (Cd), copper (Cu), lead (Pb), and iron (Fe) were analyzed using inductively coupled plasma mass spectrometry (ICP-MS). The PET characterization was assessed using Fourier transform infrared spectroscopy in the mid-infrared range (FT-IR/MIR), carbonyl index, and differential scanning calorimetry (DSC). The results showed increases in the acidity index by 0.29%, the peroxide value by 25.92%, and the K268 coefficient by 51.22% between the control sample and the most severe treatments, with more pronounced effects observed after 12 months. Sensory quality declined, with reduced intensity of the “fruity” attribute and increased presence of the “rancid” defect. PET degradation was reflected in an increase in the carbonyl index and greater structural amorphization. Fe was the predominant metal, and Sb concentration increased after thermal treatments. The lack of studies on the raw consumption of oils packaged in PET and the concerns about the migration of compounds from the packaging to the food highlight the relevance of this research. This study provides new insights into the effects of thermal exposure and storage on the migration of PET contaminants into oils, contributing to the development of strategies to ensure food safety and product quality.

An Fe(III)-carbonato six-coordinate picket fence porphyrin complex with the formula [K(2,2,2-crypt)][FeIII(TpivPP)(CO3)]·C6H5Cl·3H2O (I) has been synthesized and characterized by UV-Vis and FT-IR spectra. The structure of (carbonato)(α,α,α,α-tetrakis(o-pivalamidophenyl)porphinato)ferrate(III) was also established by XRD. The iron atom is hexa-coordinated by the four nitrogen atoms of the pyrrol rings and the two oxygen atoms of the CO32− group. Complex I, characterized as a ferric high-spin complex (S = 5/2), presented higher Fe-Np (2.105(6) Å) and Fe-PC (0.654(2) Å) distances. Both X-ray molecular structure and Hirshfeld surface analysis results show that the crystal packing of I is made by C-H⋯O and C-H⋯Cg weak intermolecular hydrogen interactions involving neighboring [FeIII(TpivPP)(CO3)]− ion complexes. Computational studies were carried out at DFT/B3LYP-D3/LanL2DZ to investigate the HOMO and LUMO molecular frontier orbitals and the reactivity within the studied compound. The stability of compound I was investigated by analyzing both intra- and inter-molecular interactions using the 2D and 3DHirshfeld surface (HS) analyses. Additionally, the frontier molecular orbital (FMO) calculations and the molecular electronic potential (MEP) analyses were conducted to determine the electron localizations, electrophilic, and nucleophilic regions, as well as charge transfer (ECT) within the studied system.

Focusing on the problem of identifying and classifying aero-engine models, this paper measures the infrared spectrum data of aero-engine hot jets using a telemetry Fourier transform infrared spectrometer. Simultaneously, infrared spectral data sets with the six different types of aero-engines were created. For the purpose of classifying and identifying infrared spectral data, a CNN architecture based on the continuous wavelet transform peak-seeking attention mechanism (CWT-AM-CNN) is suggested. This method calculates the peak value of middle wave band by continuous wavelet transform, and the peak data are extracted by the statistics of the wave number locations with high frequency. The attention mechanism was used for the peak data, and the attention mechanism was weighted to the feature map of the feature extraction block. The training set, validation set and prediction set were divided in the ratio of 8:1:1 for the infrared spectral data sets. For three different data sets, the CWT-AM-CNN proposed in this paper was compared with the classical classifier algorithm based on CO2 feature vector and the popular AE, RNN and LSTM spectral processing networks. The prediction accuracy of the proposed algorithm in the three data sets was as high as 97%, and the lightweight network structure design not only guarantees high precision, but also has a fast running speed, which can realize the rapid and high-precision classification of the infrared spectral data of the aero-engine hot jets.

Recently, there has been a significant transition in the dietary preferences of consumers toward foods containing health-promoting compounds. In addition, as people’s environmental awareness increases, they are increasingly looking for sustainable solutions. Palm oil, an oil used extensively by the food industry, does not fit these criteria. This study investigated the development of a complex oil blend consisting of commonly used vegetable oils such as corn, rapeseed, sunflower, and palm oil. The aim was to find the optimal blended oil and compare this combination with palm oil in terms of its oxidative stability, antioxidant capacity, and the composition of bioactive compounds (i.e., fatty acids, tocopherols, and carotenoids). Palm oil was found to have greater oxidative stability as a result of its increased concentration of saturated fatty acids. The optimal blended oil, which consisted of corn and rapeseed oil at a ratio of 4:3 w/w, inhibited the superior antioxidant activity, showing a ~33% increase in DPPH• inhibition activity. ATR-FTIR spectra further verified the existence of a significant quantity of saturated fatty acids in palm oil and unsaturated fatty acids in the blended oil. Finally, several correlation analyses revealed interesting connections between oil samples and investigated parameters. This work has the potential to establish a basis for the mass production of oil blends that possess high concentrations of antioxidant compounds and reduce the use of palm oil.

This study focused on isolating, identifying, and evaluating the trypanocidal potential against the hemoflagellate protozoan Trypanosoma cruzi of compounds from Parthenium incanum (Mariola), a plant used in traditional Mexican medicine to treat stomach and liver disorders. P. incanum has a wide distribution in Mexico. This study found that methanolic extracts of P. incanum, obtained by static maceration and successive reflux, had promising results. The fractions were compared using thin-layer chromatography (TLC) and those that showed similarities were mixed. A bioguided assay was performed with Staphylococcus aureus ATCC 25923, using agar diffusion and bioautography techniques to determine the preliminary biological activity. The fractions with antimicrobial activity were purified using a preparative thin-layer chromatography (PTLC) plate, obtaining the bioactive bandages that were subjected to a trypanocidal evaluation against the Ninoa strain of T. cruzi in its epimastigote stage. This revealed an IC50 of up to 45 ± 2.5 µg/mL, in contrast to the values obtained from the crude extracts of less than 100 µg/mL. The TLC, Fourier-transform infrared spectroscopy (FT-IR), and high-performance liquid chromatography coupled with mass spectrometry (HPLC–MS) techniques were used to identify the compounds, demonstrating the presence of sesquiterpene lactones, parthenin, and coronopolin. We concluded that these compounds have the potential to inhibit T. cruzi growth.

In this study, the biodegradation properties of leather treated with various finishing chemicals were evaluated in order to enhance the sustainability of leather processing. We applied advanced analytical techniques, including FT-IR, thermogravimetric analysis (TGA), and solid-state NMR spectroscopy. Leather samples treated with different polymers, resins, bio-based materials, and traditional finishing agents were subjected to a composting process under controlled conditions to measure their biodegradability. The findings revealed that bio-based polyurethane finishes and acrylic wax exhibited biodegradability, while traditional chemical finishes like isocyanate and nitrocellulose lacquer showed moderate biodegradation levels. The results indicated significant differences in the biodegradation rates and the impact on plant germination and growth. Some materials, such as black pigment, nitrocellulose lacquer and wax, were beneficial for plant growth, while others, such as polyurethane materials, had adverse effects. These results support the use of eco-friendly finishes to reduce the environmental footprint of leather production. Overall, this study underscores the importance of selecting sustainable finishing chemicals to promote eco-friendly leather-manufacturing practices.

This research aimed to evaluate the changes induced by two thermal treatments on red beetroot and red capsicum pepper, alongside the addition of anise or fennel aqueous extracts to boost lactation. The cooking loss and yield, phytochemical profile, antioxidant activity, in vitro digestion, FT-IR investigations, and respective statistical analysis were performed for all the puree samples. Cooking loss and yield determined similar values for both vegetables used. Comparatively, between hot air and water vapor convection, the latter proved to be a milder method. By the statistical method, the samples mixed with herbal aqueous extracts presented significantly differences (p < 0.05) compared to the blank samples. Also, the samples mixed with herbal aqueous extracts were statistically significantly different from the control samples. Among the experimented samples, steamed red capsicum pepper puree enriched with aqueous anise extract (EAAA) showed the highest antioxidant activity (71.08 ± 1.9 µM Trolox/g DW). These results might mark the implementation of softer thermal methods for food preparation as well as new purposes for plants. FT-IR analysis revealed the presence of esters, glycosidic bands, pyranoid rings, and pectin, which are specific compounds for the evaluated matrices. The total phenolic content evolution was negatively affected only after the first hour of digestion. In conclusion, red beetroot and red capsicum pepper with anise or fennel aqueous extracts could contribute to improving breastfeeding. Even so, clinical tests and further analysis are necessary in order to confirm the efficacy of such products.

The presence of microplastics in commercially important seafood species is a new issue of food safety concern. Although plastic debris has been found in the gastrointestinal tracts of several species, the prevalence of microplastics in edible shrimp tissues in Thailand has not yet been established. For the first time, the gastrointestinal tract (GT), heptapancreas (HEP), muscle (MU) and exoskeleton (EX) of farmed white leg shrimp (Litopenaeus vannamei) from commercial aquaculture facilities in Nakhon Pathom Province, Thailand, were analyzed for microplastics (MPs). The number of MP items per tissue was 27.36±2.28 in the GT, 17.42±0.90 in the HEP, 11.37±0.60 in the MU and 10.04±0.52 in the EX. MP concentrations were 137.78±16.48, 16.31±1.87, 1.69±0.13 and 4.37±0.27 items/gram (ww) in the GT, HEP, MU and EX, respectively. Microplastics ranged in size from < 100 to 200–250 μm, with fragment-shape (62.07%), fibers (37.31%) and blue (43.69%) was the most common. The most frequently found polymers in shrimp tissue organs and pond water were polyethylene terephthalate (PET), polyvinyl acetate (PVAc) and cellulose acetate butyrate (CAB). Shrimp consumption (excluding GT and EX) was calculated as 28.79 items/shrimp/person/day using Thailand's consumption of shrimp, MP abundance and shrimp consumption. The results of the study can be used as background data for future biomonitoring of microplastics in shrimp species that are significant from an ecological and commercial perspective. MP abundance in farmed L. vannamei may be related to feeding habits and the source of MPs could come from the aquaculture facilities operations.

Along with the increase in demand for electricity, dependability requirements for the power supply system also increase. Transformers are the backbone of the electrical system; thus, they must function reliably and safely. In this study, a method based on Fourier-transform infrared spectroscopy technology is proposed for assessing the ageing level of insulating oils. Copper-catalysed thermal ageing is applied to four distinct insulating oils at a temperature of 120°C12{0}^{^\circ }{\rm{C}}. The insulating oil ageing peaks are promptly measured using infrared spectroscopy, and the peak area ratios are associated with the interfacial tension and dielectric loss factor. It is observed that the peak area ratio of the ageing peaks and interfacial tension are significantly correlated, and this relationship can be used to determine the ageing condition of the insulating oil. The findings of this study can be used to design sensors for online monitoring of insulating oil quality.

زمینه و هدف: پلاستیک های پلی اتیلن امروزه به معظل بزرگ بهداشت محیط یعنی تولید بی رویه پسماند تبدیل شده است و محیط زیست را به خطر انداخته است. ولی حشرات به کمک محیط زیست آمده است و در این میان شب پره بزرگ موم خوار( Galleria mellonella) قادر است به کمک میکروبیوم معده در مرحله لاروی خود، پلاستیک پلی اتیلن، پلی استر، فویل آلومنیوم و حتی ماسک های پارچه ای را هضم کند. این مطالعه نیز با هدف بررسی توانایی لاروهای گالریا ملونلا در حذف پلاستیک پلی -اتیلن طراحی شد.مواد و روشها: ابتدا لاروهای گالریا ملونلا از خرداد ماه 1401 از زنبورستانهای عسل شهرستان گناباد- خراسان رضوی، جمع آوری شد. لاروها در آزمایشگاه حشره شناسی پزشکی دانشگاه علوم پزشکی گناباد با غذای موم و مصنوعی در باکس های پلاستیکی و در اتاقک های تاریک ( دما 2±25 و رطوبت 33%)پرورش یافتند. برای تغذیه لاروها از پلاستیک های فریزری، زباله و فروشگاهی(اصطلاحاً دسته دار) قطعات فیلم پلاستیک به قطر (10×10 سانتیمتر) برش زده شد و بر روی 10 پتری دیش به قطر( 8×8 سانتیمتر) حاوی 10 لارو گذاشته شد و روی فیلم های پلی اتیلن یک پتری دیش دیگر(دارای سوراخ جهت تنفس لاروها) قرار گرفت. بیوماس تولید شده لاروهای مربوط به هر نوع پلاستیک جداگانه با دستگاه اسپکترومتری مادون قرمز تبدیل فوریه(FT-IR) آنالیز شدند.یافته ها: آنالیز 8 نوع زیست توده تولیدی تغذیه لاروها از موم(کنترل) در مقایسه با پلاستیک های پلی اتیلن( مورد هدف) با FT-IRگروه های عاملی C-CL، C=O، C=C، R-OH، CH2، -C-C- که نشانه تخریب پلاستیک پلی اتیلن است را آشکار کرد. همچنین مقایسه میزان حذف پلاستیک در بین لاروهای تغذیه شده بر روی انواع فیلم پلی اتیلن اختلاف معنی داری(P

Abstract Thin polymeric films of poly(vinylidene fluoride) (PVDF) containing variable mass fractions of nanoparticles (LiZnVO4) were successfully synthesized via the ordinary solution casting method. X-ray diffraction (XRD), Fourier transform infrared (FT-IR), and ultraviolet–visible spectroscopy were used to explore the role of LiZnVO4 on the structural and optical characteristics of synthesized nanocomposites. In addition, dielectric permittivity (ε' and ε") and dielectric modulus (M' and M") were investigated. The XRD spectral data reveals the crystalline nature of pure LiZnVO4 with rhombohedral structure with an average size of 83 nm calculated using the Scherrer’s equation and W-L plot. The interaction between PVDF and LiZnVO4 was approved through the shift in characteristics in some IR bands. The decrease in band gap energies with increasing LiZnVO4 was attributed to the change of density in the localized states within the PVDF matrix. The effect of both frequency and temperature on the AC parameters was also investigated. Both ε' and ε" had their maximum values at low frequencies and decreased as the frequency and temperature increased. The results from XRD and FT-IR were correlated with changes in the dielectric characteristics at the maximum level value of LiZnVO4, suggesting the potential of these materials as basic components for lithium-ion batteries.

Nanomaterials and Mesogenic materials are two important pillars of today’s science and technology, in the fields of both material and biological applications. Mesogens or liquid crystals (LC) are self-aggregated anisotropic fluids with long range order, and the nature of self-aggregation largely controls their physical and material properties. Doping of nanomaterials over liquid crystalline matrix can provide valuable tools for development of materials with new or improved properties. In the present work 4-decyloxybenzoic acid is taken as the mesogenic matrix. It is observed that, composite prepared by doping of 4-decyloxybenzoic acid mesogen matrix by ZnO nanoparticle pre-functionalized with the same mesogen, caused a marked alteration in the mesogenic behavior. With 3% doping of matrix pre-functionalized ZnO NP on 4- decyloxy benzoic acid, we could achieve a shift of about 31ºC in the N-Iso transition temperature and, a decrease of >10ºC for the onset of liquid crystallinity by this method without quenching any of the mesophases exhibited by the pure mesogen. The synthesized materials have been characterized by variable temperature Polarised optical microscopy (POM), DSC, FTIR, XRD, EDX, and TEM This process may be considered for preparation other nanoparticle-mesogen composites as well. It was observed that, the effect of doping on the transition temperature and enthalpy of 4-Decyloxybenzoic Acid can be significantly enhanced by pre-functionalizing the dopant (ZnO NP) with the substrate molecules and then mixing this substrate functionalized ZnO nanoparticle with the bulk substrate.

Rock arts, especially pictographs, feature peculiar characteristics in the history of Iranian art. Most scholars regard them as a form of visual art. Given the long history of representation in rock art spanning the Paleolithic period up to the present, they have been considered from various archeological, anthropological, artistic, symbolic, and historical and decorative arts perspectives to pin down their themes, meanings, and date. The present work examines a series of pictographs from the Kuhdasht region of Lorestan using a combination of field, laboratorial, and library research approaches. Notably, this is the very first study in Iran addressing the pigments of pictographs at a rock art site. A popular local tradition holds that the ancient artists used a mixture of blood, oak syrup, and soot to prepare the paint used at the site. Hence, the motifs, rock types, and pigments of the Charta region were analyzed to characterize their chemical composition and the elements constituting the pigments. To this end, a Dino Light digital loop microscope was used, and point tests and petrography were then carried out using scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS). The elemental analyses revealed the nature of the red pigment. The motifs at Charta include representations of tools, geometric motifs, and human figures, portraying fighting or pre-fighting scenes. The chemical composition of the red pigment consisted of a high iron (Fe) content as well as smaller percentages of Ca, Mg, Al, and Si. The abundance of iron element detected in the elemental analysis of the specimen’s surface and the intensity of the peaks related to the composition of iron oxide in the FT-IR spectra might more strongly indicate the presence of these compounds in the pigment.Therefore, the pigments were mainly made of iron oxides, such as red ocher or hematite, magnetite, and magnesium. Thus, the artists invariably used highly durable and resilient mineral pigments, which based on the micrographs of the paint layer cross-sections were directly applied to the rock and, thus the absence of any sort of primer. No organic element was detected in the pigment composition.

This article presents the results of technical studies of the oil painting by the artist of German origin Werner Tübke “Hiroshima I” (1958). The creative heritage of this author has not been studied enough and represents scattered data on the technology of painting and artistic techniques. The aim of this work was to determine the art materials and painting technology described in his diaries, using the example of his only painting represented in Russia: “Hiroshima I”. For this purpose, an in situ approach was implemented using some simple museum instrumentations—UV-induced visible luminescence, infrared reflectography (IRR), radiography, portable X-ray fluorescence (XRF), Fourier transform Infrared spectroscopy (FT-IR), and polarizing microscopy using microprobes. As a result, the pigment composition of the painting layers could be determined, the painting technology refined, and a previously unknown hidden portrait of Werner Tübke’s father revealed.

The organofluorine hexahydropyrimidine derivatives are used in the drug discovery due to its steric nature to hydrogen and its extreme electronegativity. The Ethyl 5-hydroxy-2-thioxo-4-(p-tolyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate (ETP5C) compound was synthesized and characterized by NMR (13C and 1H), FT-IR and UV–Vis spectroscopic techniques for experimentally and theoretically and elemental analyses, mass spectra also investigated. The most stable structure of synthesized molecule was studied by PES analysis in gas and liquid medium. The structural parameters such as bond length and bond angle of the title molecule have been obtained by DFT/B3LYP/6–311++G (d,p) set and compared with the structurally related experimental data of the compounds. The π-to-π* transition of the ETP5C molecule is identified using UV–Vis absorption spectral analysis. In addition, the chemical stability and reactivity are investigated using HOMO-LUMO analysis. The minimal HOMO-LUMO energy gap (4.6255 eV) clearly explains that the ETP5C molecule is more reactive for receptors. The nucleophilic and electrophilic regions such as active sites have been shown by MEP, ELF, LOL and Fukui functions. The second order optical effect has been explained by NLO analysis. The docking was performed with antineoplastic proteins that exhibit against the development of tumor cells.

Plastic pollution is ubiquitous in marine and freshwater environments. Tilapia Oreochromis niloticus is one of the most important cultured fish species in South Asia. However, limited research has been conducted on the impact and hazard risk assessment of microplastic (MP) pollution on tilapia. This study characterized ingested MPs and identified potential sources of MPs in the gastrointestinal tracts (GTs) of farmed tilapia and their health risk assessment. GTs of 36 fish samples were collected from 12 tilapia fish farms in the Noakhali District, Bangladesh. A total of 199 MPs particles were extracted from all fish samples. Mean MPs abundance in tilapia GTs did not significantly vary among fish farms (F = 1.464, p = 0.209). The highest MPs numbers were 8 to 10 MPs/GT in tilapia collected from Farm 2, while the lowest MPs numbers were 3 to 5 MPs/GT from Farm 9. This study revealed that fibres were the dominant MPs shape in tilapia GTs (90.95 %). In the GT of tilapia, black (25.13 %), blue (24.12 %), and red (23.12 %) were the dominant colour of MPs. Most MPs found in tilapia GTs were within 300–1500 µm in size and accounted for 80.90 % of the total extracted MP particles. Identified polymers in GT samples were polyethylene (PE), polypropylene (PP), polyethylene terephthalate (PET), and polyvinyl chloride (PVC), which were consistent with reported results in the literature. Observed polymer hazard index (PHI) value of this study demonstrated that PP (PHI = 14.79) and PET (PHI = 33.12) were “High” risk category (hazard level III), while PE (PHI = 507.65) and PVC (PHI = 307,730.77) fell under “Danger” (hazard level IV) and “Extreme danger” (hazard level V) risk category, respectively. When ingested, these polymers could enter the human body directly and have adverse health effects that require additional research. Hopefully, this study will increase our understanding of the hazard index assessment of ingested microplastics through the farmed Tilapia O. niloticus and guide future research.

Background and Aim: Pollution and lifestyle changes expose mankind to a number of toxicants such as polycyclic aromatic hydrocarbons that may cause life-threatening diseases. The present study was undertaken to explicate the protective role of Acetyl-11-Keto-Beta Boswellic Acid (AKBA), if any, in containing benzo(a)pyrene (BaP) induced alterations on hepatic membrane dynamics and lipidiome in female rats. Experimental procedure: The animals were divided into five groups viz. Normal control, Vehicle treated, BaP treated, AKBA treated and BaP + AKBA treated. To induce hepatotoxicity, BaP was administered orally at a dose level of 50 mg/kg b.wt. dissolved in olive oil twice a week for 4 weeks. AKBA was supplemented to animals four weeks prior to BaP treatment and continued for 8 weeks at a dose level of 50 mg/kg b.wt. thrice a week. Certain key indices that included oxidative stress biomarkers, lipid profile of membranes, membrane fluidity parameters and activities of ATPases were studied. Results and Conclusion: The results showed that benzo(a)pyrene treatment resulted in a significant increase in the levels of lipid peroxidation (LPO) and ROS but caused a significant decrease in the levels of total lipids, phospholipids, cholesterol, glycolipids and activities of ATPases. Hepatic membrane fluidity as assessed by 1,6-Diphenyl-1,3,5-hexatriene (DPH) and Pyrene fluorescence probes was significantly increased in rats intoxicated with BaP. Interestingly, AKBA supplementation to BaP treated rats appreciably contained altered membrane dynamics and lipidiome as well as modulated hepatotoxicity by skirmishing activities of oxidative stress markers and also improved hepatic histoarchitecture. Our study thus concludes that AKBA can be used as a prophylactic intervention in providing protection to hepatocytes as it maintains membrane integrity in conditions of BaP induced toxicity.

The primary objective of research to reveals the effective drug treatment for corona virus disease (COVID-19). The current study on alpha-cyano-4-hydroxycinnamic acid (ACHC), the theoretical predictions were done by using Gaussian 09 W software on the basis of DFT/ TDFT/B3LYP methods with basis set of 6–311++G (d, p). The vibrational wavenumbers were obtained from the observed FT-IR and FT-Raman spectra and these vibrations were assigned on the basis of their potential energy distribution (PED) contribution. 1H and 13C NMR chemical shift of the molecule were computed by using Gauge independent atomic orbital (GIAO) method. In UV-Visible analysis the electronic transition was predicted by Time-dependent self-consistent field (TD-SCF)/DFT method. NBO analysis was done to understand the possible the intermolecular interaction, electron transition within the donor and acceptor orbitals of the molecule. The HOMO and LUMO indicates the prominent charge transfer possibilities and its energy gap shows stability of the molecule. A molecular electrostatic potential (MEP) image shows the electrophilic and nucleophilic sites of the molecule. Molecular docking analysis was carried out against Agaricus bisporus tyrosinase (2Y9X) and severe acute respiratory syndrome corona virus 2 (6LZG).

Amodiaquine (AQ) was synthesized by a condensation reaction and characterized by experimental FT-IR, 1H and 13C nuclear magnetic resonance (NMR) and UV spectroscopies. In the present work, Density Functional Theory (DFT) calculations.The structural and spectroscopic (FT-IR, 1H and 13C NMR and UV) data of amodiaquine molecule in ground state have been investigated by using Density Functional Theory (DFT). The calculations have been performed at the using B3LYP method with 6–311++G(d,p) and 6–311++G(2d, p) basis sets theory level were performed, first, to confirm its structure, then to explain its reactive nature through its molecular properties such as natural charges, local and global reactivity descriptors or natural bond orbital (NBO). Afterwards, the calculated properties were compared with experimental results. The 1H and 13C NMR chemical shifts were calculated by using the gauge-independent atomic orbital (GIAO) method, while the electronic UV–Vis spectrum is predicted using the time-dependent density functional theory (TD-DFT). Globally, the computerized results showed good agreement close similarity with the experimental values. The molecular properties such as natural charges, local and global reactivity descriptors, molecular electrostatic potential (MEP), natural bond orbital (NBO) of title molecule were calculated insights into the stability, reactivity and reactive sites on the molecule.The calculated energy band gap (ELUMO-EHOMO) value of AQ was found to be 4.09 eV suggesting that it could be considered as a hard molecule with high stability, supported by global reactivity descriptors. Molecular electrostatic potential (MEP) analysis revealed heteroatoms (oxygen and nitrogen) as the most putative nucleophilic sites when hydrogen atoms to which they are linked appear as electrophilic sites. The potential use of amodiaquine as non-linear optical (NLO) material and its thermodynamic indicators have also been assessed.

In this present work, to investigate the physicochemical properties of the molecules, extensive quantum chemical calculations have been performed on 2-cyano-5-fluoropyridine (2C5FP) and 3-cyano-2-fluoropyridine (3C2FP). Infrared and Raman spectra analysis have been carried out to study the vibrational modes of the molecule. Based on density function theory (DFT) with 6–311 ++ G (d, p) basis set, was also used to compute the same modes. As a result of intramolecular interactions, charge transfer or delocalization of charge has been explained by natural bond orbital analysis. The NMR study was also carried out experimentally and theoretically. The nucleophilic and electrophilic sites were predicted by Molecular Electrostatic Potential surface (MEP). By using the same functional and basis set and GIAO method, theoretical predictions were made. The absorption wavelengths of title molecules have been studied both theoretically and experimentally using UV–visible analysis. The Mullikan population analysis and Natural atomic charges are used to calculate the net charges of the atoms in the molecules, and the calculated net charges are compared to the experimental chemical shift values. A molecular docking study revealed that the title molecules may have antidiabetic properties when bound to protein Glycogen Phosphorylase B Complexed Glucose.

This study shows the effect of the ultrasound-assisted extraction (UAE) method in desi chickpea protein isolate at 50 % and 100 % amplitude i.e., 200 W – 24 kHz at various processing times. The changes occur to the functional properties of desi chickpea protein compared to the conventional extraction method. The UAE approach yielded more protein than the conventional method. The solubility also increased in the UAE method at 15 min at 200 W. The highest solubility was 91.1 %, and the lowest was in the conventional extraction method, 85.5 %. In emulsion, oil holding capacity and stability, foaming capacity, and stability were also increased according to the increase in the ultrasound than the conventional extraction method. The water-holding capacity was decreased in the UAE method. The WHC in the US-assisted extracted protein was 1.528 g, and in conventional method, 1.614 g. The digestibility in US-treated protein shows better results than the control. In FT-IR, there was a variation in the nitro and cyclic alkane compounds in the US-treated sample. According to the results from SEM, zeta, particle size, and SDS PAGE, desi chickpea protein isolate powder showed smooth surface, decrease in zeta potential along with the particle size and legumin, vicilin protein fractions are detected respectively.

In this work, characterization by 1H & 13C together with UV-Vis & IR spectroscopy has been accomplished for p-toluenesulfonic acid (p-TSA). The structural, electronic and vibrational properties of the heading compound were foretold using quantum chemical calculations through DFT. All the calculated data were compared with the experimental and found to be consisting with them. The comparison of computed data with experimental have been shown in terms of RMSD values (in case of IR, 1H and 13C NMR). The B3LYP functional with source set 6-311++G(d,p) was utilized to optimize the geometry of the compound, p-TSA. IR spectrum measurements have been made between 4000 - 400 cm−1. To calculate geometric dimensions, energies & wavenumbers, as well as to assign fundamental vibrations, the vibrational modes with the PED assignments were utilized. In solvents namely, MeOH and DMSO, the spectra of UV-Vis of the caption compound were captured between 200 and 400 nm.TD-DFT computations were used to ascertain the HOMO – LUMO energy gap & electronic transitions, which also replicate the UV-Vis absorption spectra. Hirsfeld Surface Analysis (HF) was also evaluated to determine the crystal structure's interactions. The electrophilic and nucleophilic locations were identified using the MEP. Furthermore, to study the biologic functions of p-TSA and to assess the optimum interactions of ligand – protein and similarity to the energetic ingredient, molecular docking was carried out.

AB S T R A C T: The Methyl Linoleate, also called polyunsaturated fatty acid, is a natural drug synthesis from 100% medicinal plant of L.AegleMarmelos. The title molecules structure conformed through GC-MS results. The geometry structure parameters on the title molecule were optimized and determinate at the same level of B3LYP/6-311++G (d,p) correlated with the XRD database. Thermodynamic properties estimated at different temperatures and the NBO used to analysis inter-intra molecular interaction, the first-order hyperpolarizability were also completed. The DFT were computed NMR, energy gap reported 5.33 eV it is related to biological activity and MEP used to predict the chemical reactive site of electrophilic and nucleophilic attack. The TD-DFT executed UV-Visible spectra found at 266 nm is good agreements with experimental value and the FT-IR spectra of each vibrational mode compared with the theoretical spectra and potential energy distribution PED% carried out. The PES studies have been estimated to investigate the configuration analysis of double bond. The molecular docking found the stability of protein-ligand complex on 4HOE receptor against candida diagnosis.

On Glycine Methyl Ester Hydrochloride (GMEHCl), X-ray crystallographic (Lattice parameter), FT-IR, FT-Raman, DFT, HOMO-LUMO, MEP, ADMET, and molecular docking investigations are studied. The small molecule (GMEHCl) docking analysis with the target protein revealed that this is a good molecule that docks well with a target connected to the Human estrogen receptor macromolecule. The improvement of electrostatic interactions between the protein and the ligand is made possible by molecular electrostatic potential (MEP). DFT-B3LYP calculations using the 6–31++G (d,p) basis set are used to determine the optimized geometry of the GMEHCl molecule, and the computed vibrational frequencies are assessed by comparing them to experimental results. Using a 2D fingerprint plot and Hirshfeld Surfaces, the molecular surface and hydrogen bonding interactions in the GMEHCl crystal structure were discovered and investigated. The parameters of absorption, distribution, metabolism, and excretion (ADME) were measured using the internet server preADMET.

Novel water-soluble complex polysaccharides (CPS) were obtained from Pteridium aquilinum and Dryopteris filix-mas. The yield of CPS was determined to be 4.161%-5.677%. As a result of the physicochemical composition, the CPS contained 12.10–13.65% moisture, 1.983–2.686% protein, 0.123–0.916% lipids and 12.06–21.52% ash. In HPLC analysis, sugar components of the samples (glucose+fructose+saccharose+maltose+lactose) ranged between 35.85–40.98%. Peaks of the fingerprint region specific for polysaccharides were identified during FT-IR analysis. DSC analysis showed that the glassy transition temperature of the DFR sample was higher than in the other three samples. A double cold crystallization peak was detected in all samples. During TGA analysis, the CPS samples exhibited a small amount of mass loss (1.2–1.85%) between 0 and 100 °C, and the DTGmax.p1 region continued up to 215–230 °C. These findings indicate that the four types of polysaccharides have excellent thermal stability (up to 230 °C) and are applicable to high-temperature food processing.

The FT-IR and FT-Raman spectra was recorded within the range of 4000 -500 cm−1 and compared with the theoretically obtained spectra. The 13C and 1H NMR chemical shifts have been calculated using the GIAO technique, and the output has been compared with experimental data. The optimized molecular structure and stability analysis of the aztreonam compound have been calculated by the DFT/B3LYP/6–311++G(d,p) level of theory. The molecular electrostatic potential, chemical descriptors, and HOMO-LUMO energies were also calculated. The in silico pharmacological evaluation shows that the title molecule exhibit drug-likeness, and ADMET properties. The ADMET results also indicate that the molecule can be employed in anti-tuberculosis treatments to discover new drugs. Furthermore, molecular docking analyses have been performed to understand the most active binding sites of the compound with the target protein. The molecules are docked with the PknB protein, with free binding energy values of Aztreonam is -7.25 and Mitoxantrone is -6.79 kcal/mol.

Nowadays, the revalorization of high-value components of waste is the business goal for the development of food supplements in personalized nutrition, pharmaceuticals, and cosmetics. The objective of this study was to simulate and upgrade the extract quality of the medicinal plant Punica granatum L. peel powder by using microwave-assisted extraction (MAE). The central composite design was implemented for optimized parameters ethanol concentration of (50%), solvent: solid ratio (25:1 mL/g), extraction time (4 min), microwave power (450 W), on yield of 47.3%, total phenolic content of 432.05 mg GAE/g, DPPH reduction of 87.34%, was observed. The extract obtained after MAE of phenolic compounds contained 279.2 mg TAE/g DM of the highest total ellagitannin content and 25 mg QE/g DM of the flavonoid content of pomegranate peel powder. The structural characterization of bioactive compounds before and after MAE was performed using FTIR, SEM, and XRD. FT-IR technique was used to identify the functional groups in the pomegranate peel extract. The highest antioxidant active rich pomegranate peel extract proved that it can be utilized for the preparation of functional foods. This ‘green technology’ can be applied to various by-product processing and can be useful for upgrade studies for the value-addition of food products using an extraction approach. Practical applications: This study aims to establish a sustainable prototype for agro-industrial wastage management using an approach to process pomegranate peel that can deliver better economic and environmental outcomes. In this case, the application of the pomegranate peel extract is presented as an alternative to synthetic preservatives due to its highest antioxidant capacity. The advantage of the MAE procedure was the higher yield of up to 50% of extract per gram of peel powder. Our study demonstrates that statistically designed experiments allow for significant enhancement of the extraction process, which application could aid better use of natural resources and deliver more potent extracts than those obtained by currently recommended procedures.

Abstract The detailed theoretical and experimental (FT-IR, FT-Raman, UV-visible) spectroscopy analyses of the Ethyl Coumarin-3-Carboxylate (ECC) molecule were carried out. The ECC compound’s pharmacological properties were also investigated, utilizing antibacterial and anticancer activity investigations. Initially, the ECC molecule was optimized by the density functional theory B3LYP method with a 6-311 G++ (d,p) basis set using the Gaussian 09 W program. The optimized molecular structure provides the harmonic vibrational frequencies of the ECC molecule. The observed and computed vibrational wavenumbers were assigned and found to be well correlated. UV-Vis absorption spectrum analysis indicates that the molecule contains π →π* and n → π* electronic transitions. The Frontier molecular orbital analysis confirmed the molecular reactivity and bioactivity of ECC, while the Mulliken atomic charge distribution analysis pinpointed the molecule’s reactive sites. Antibacterial testing demonstrated the ECC compound’s inhibitory effect on various bacterial strains, with a particular impact on Klebsiella pneumonia. In vitro, anticancer assessments showcased ECC's stronger inhibitory effects on A549 lung cancer cell lines compared to HeLa cervical cancer cell lines. Additionally, in silico molecular docking investigations provided further validation that the ECC compound can inhibit the function of the epidermal growth factor receptor, a factor associated with lung cancer. As a result, this study lays the foundation for the development of novel drugs for lung cancer treatment. [ABSTRACT FROM AUTHOR]

Monitoring plastic litter in the environment is critical to understanding the amount, sources, transport, fate, and environmental impact of this pollutant. However, few studies have monitored plastic litter on lakebeds which are potentially important environments for determining the fate and transport of plastic litter in freshwater basins. In this study, a self-contained underwater breathing apparatus was used for litter collection at the lakebed along five transects in Lake Tahoe, United States. Litter was brought to the surface and characterized by litter type. Plastic litter was subsampled, and polymer composition was determined using attenuated total reflection Fourier transform infrared spectroscopy. The average plastic litter from the lakebed for the five dive transects was 83 ± 49 items per kilometer. The top plastic litter categories were other plastic litter (plastic litter that did not fall in another category), followed by food containers, bottles <2 L, plastic bags, and toys. These results are in line with prior studies on submerged litter, and intervention approaches or ongoing education are needed. The six polymers most frequently detected in the subsamples were polyvinyl chloride, polystyrene/expanded polystyrene, polyethylene terephthalate/polyester, polyethylene, polypropylene, and polyamide. These observations reflect global plastic production and microplastic studies from lake surface water and sediments. We found that some litter subcategories were primarily comprised of a single polymer type, therefore, in studies where the polymer type cannot be measured but litter is categorized, these results could provide an estimate of the total polymer composition for select litter categories. [ABSTRACT FROM AUTHOR]

The new compound based on mercury (II) (C7H10N)2·(HgCl2)2·(Hg2Cl6) 1 was described by numerous approach: X-ray diffraction (powder and single crystal), FT-IR, photoluminescence, UV–Vis, Hirshfeld surface analysis, thermal analysis, electric conductivity and finally a biological study was carried out through the antioxidant activity. Depending on the XRD data, the dimers (Hg2Cl6)2−, the infinite chains (parallel to the c-axis) formed by (HgCl2) and the 2-ethylpyridinium cation are bound together by weak H-bonds and electrostatics interactions forming a 3D network. The purity of 1 was checked by PXRD. The Hirshfeld surface analysis was used to investigate intermolecular interactions present in the compound 1. Infrared spectroscopy has been used to assign the varied functional groups. UV–Vis spectroscopy showed two bands located respectively at 240 nm and 280 nm. The photoluminescence analysis indicates the presence of fluorescence at 235 nm. A phase transition around 345 K has been shown by thermal analysis studies (TG-DSC and TG–DTA). The complex impedance of 1 has been performed in temperature range 295–343 K. Finally, the antioxidant activity study reveals that compound 1 can be used as a free radical scavenging substance. [ABSTRACT FROM AUTHOR]