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In this study, four ecotoxicological tests on Vibrio fischeri bacteria, Sinapis alba L. (white mustard), Daphnia magna S. (daphnia's) and earthworms were performed for three types of aqueous slag (ladle, blast furnace and converter) leachates with two-grain sizes (<4 mm, <10 mm). Concentrations of toxic elements and concentrations of Cr(VI), Ca, Na, Al, and other ions were determined. The raw slags were analyzed using X-ray fluorescence spectroscopy (XRFS), and major substances were determined by X-ray powder diffraction (XRD). The aqueous slag leachates passed ecotoxicological tests and met the required criteria, showing no toxicity to Vibrio fischeri and complying with white mustard test criteria. According to the results of the ecotoxicity tests with daphnia, the blast furnace slag samples were not ecotoxic, while two other slag samples were found to be entirely compliant. Characterization of the slags showed that the effect of element/ion leachability and slag grain size is essential. Biplot principal component analysis (PCA) showed that grain size does not significantly affect the separation of individuals on the plane. A positive correlation on toxicity was found with pH, conductivity, calcium content, dissolved content, salinity and fluoride concentration, whereas a negative correlation was found with magnesium concentration, dissolved organic carbon and potassium concentration. The effective concentration at 50% inhibition (EC 50 ) value for Vibrio fischeri correlated with the first dimension of bivariate assessment. In summary, it was found that the investigated slags can be effectively reused as they comply with regulations and do not endanger the environment., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

The macrophage mannose receptor (RMM) is a crucial component of the immune system involved in immune responses, inflammation resolution, and tissue remodeling. When RMM is activated by a specific ligand, it undergoes internalization, forming an endosome that matures into a lysosome. Within the lysosome, structural changes in RMM facilitate the dissociation of ligands for further processing. However, the precise details of these structural changes are not well understood. In this study, we used molecular dynamics simulations to investigate the conformational dynamics of a specific region called CRD4 in RMM. Our simulations explored different conditions, including pH variations and the presence of Ca 2+ ions. By analyzing the simulation data, we found that conformational changes primarily occur in loop regions, while the secondary structure remains stable. The binding site of CRD4, essential for ligand interaction, is located on the protein surface between two specific loop regions. Ligand binding is stabilized by three important amino acids. Interestingly, the interaction patterns differ between monosaccharide and disaccharide ligands. These findings improve our understanding of CRD4's dynamics and how it recognizes ligands. They provide insights into the structure of CRD4 and its role in ligand dissociation within lysosomes. The study also highlights the significance of loop regions in functional dynamics and interactions. Further research is needed to fully uncover the complete structure of CRD4, understand ligand binding modes, and explore the influence of environmental factors. This study lays the foundation for future investigations targeting carbohydrate-protein interactions and the development of therapeutics based on RMM's unique properties.Communicated by Ramaswamy H. Sarma.

The L84S mutation has been observed frequently in the ORF8 protein of SARS-CoV-2, which is an accessory protein involved in various important functions such as virus propagation, pathogenesis, and evading the immune response. However, the specific effects of this mutation on the dimeric structure of ORF8 and its impacts on interactions with host components and immune responses are not well understood. In this study, we performed one microsecond molecular dynamics (MD) simulation and analyzed the dimeric behavior of the L84S and L84A mutants in comparison to the native protein. The MD simulations revealed that both mutations caused changes in the conformation of the ORF8 dimer, influenced protein folding mechanisms, and affected the overall structural stability. In particular, the 73 YIDI 76 motif has found to be significantly affected by the L84S mutation, leading to structural flexibility in the region connecting the C-terminal β4 and β5 strands. This flexibility might be responsible for virus immune modulation.  The free energy landscape (FEL) and principle component analysis (PCA) have also supported our investigation. Overall, the L84S and L84A mutations affect the ORF8 dimeric interfaces by reducing the frequency of protein-protein interacting residues (Arg52, Lys53, Arg98, Ile104, Arg115, Val117, Asp119, Phe120, and Ile121) in the ORF8 dimer.  Our findings provide detail insights for further research in designing structure-based therapeutics against the SARS-CoV-2.Communicated by Ramaswamy H. Sarma.

The development of convenient, fast, and cost-effective methods for differentiating and detecting common organic pollutant phenols has become increasingly important for environmental and food safety. In this study, a copper metal-organic framework (Cu-MOF) with flower-like morphology was synthesized using 2-methylimidazole (2-MI) as ligands. The Cu-MOF was designed to mimic the natural laccase active site and proved demonstrated excellent mimicry of enzyme-like activity. Leveraging the superior properties of the constructed Cu-MOF, a colorimetric method was developed for analyzing phenolic compounds. This method exhibited a wide linear range from 0.1 to 100 μM with a low limit of detection (LOD) of 0.068 μM. Besides, by employing principal component analysis (PCA), nine kinds of phenols was successfully distinguished and identified. Moreover, the combination of smartphones with RGB profiling enabled real-time, quantitative, and high-throughput detection of phenols. Therefore, this work presents a paradigm and offers guidance for the differentiation and detection of phenolic pollutants in the environment., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

Coastal urban areas impact atmospheric chemistry and air quality through various sources, interactions, and processes. This study examines the mass concentrations of fine mode (PM2.5) aerosol and its major and trace components (Al, As, Ba, Bi, Ca, Cd, Co, Cr, Cu, Fe, K, Mg, Mo, Mn, Na, Ni, Pb, Sb, Se, Sr, Te, Ti, Tl, V, Zn). The comprehensive field measurements were conducted in Poland between September 2019 and May 2020. Seasonal distribution and drivers of these pollutants showed considerable variability. In winter, higher concentrations were observed for Pb, Co, and As due to the higher contribution of pyrogenic emission. The Principal Component Analysis provided evidence of anthropogenic sources of trace species associated with coal combustion by industry/power plants, brake wear-related emissions, vehicle emissions, shipping activities, road-resuspended dust, and urban construction activities. These results showed that major chemical elements (Ca, Na, Fe, Mg, Al, and K) contributed to 4.07-34.0% of all components. Se, Zn, and Br contributed 1.29%, 1.25%, and 1.04%, respectively, while other tracers ranged between 0.07% and 0.95%. The diagnostic ratio of V/Ni remained stable between 0.45 and 0.46 during the cold season, then increased in spring, indicating that ship emissions were an important source of these metals during the warm season., Competing Interests: Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests:Patrycja Siudek reports financial support was provided by National Science Centre Poland. Patrycja Siudek reports a relationship with Institute of Meteorology and Water Management that includes: employment., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Tillandsia species are plants from the Bromeliaceae family which display biomonitoring capacities in both active and passive modes. The bioaccumulation potential of Tillandsia aeranthos (Loisiel.) Desf. and Tillandsia bergeri Mez acclimated to Southern/Mediterranean Europe has never been studied. More generally, few studies have detailed the maximum accumulation potential of Tillandsia leaves through controlled experiments. The aim of this study is to evaluate the maximum accumulation values of seven metals (Co, Cu, Mn, Ni, Pb, Pt, and Zn) in T. aeranthos and T. bergeri leaves. Plants were immersed in different mono elemental metallic solutions of Co (II), Cu (II), Mn (II), Ni (II), Pb (II), Pt (IV), and Zn (II) ions at different concentrations. In addition, cocktail solutions of these seven metals at different concentrations were prepared to study the main differences and the potential selectivity between metals. After exposure, the content of these metals in the leaves were measured by inductively coupled plasma-optical emission spectrometry. Data sets were evaluated by a fitted regression hyperbola model and principal component analysis, maximum metal loading capacity, and thermodynamic affinity constant were determined. The results showed important differences between the two species, with T. bergeri demonstrating higher capacity and affinity for metals than T. aeranthos. Furthermore, between the seven metals, Pb and Ni showed higher enrichment factors (EF). T. bergeri might be a better bioaccumulator than T. aeranthos with marked selectivity for Pb and Ni, metals of concern in air quality biomonitoring., (© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

Annexin A1 (A1) has been shown to form a tetrameric complex (A1t) with S100A11 which is implicated in calcium homeostasis and EGFR pathways. In this work, a full-length model of the A1t was generated for the first time. Multiple molecular dynamics simulations were performed on the complete A1t model for several hundred nanoseconds each to assess the structure and dynamics of A1t. These simulations yielded three structures for the A1 N-terminus (ND) which were identified via principal component analysis. The orientations and interactions of the first 11 A1-ND residues for all three structures were conserved, and their binding modes were strikingly similar to those of the Annexin A2 N-terminus in the Annexin A2-p11 tetramer. In this study, we provided detailed atomistic information for the A1t. Strong interactions were identified within the A1t between the A1-ND and both S100A11 monomers. Residues M3, V4, S5, E6, L8, K9, W12, E15, and E18 of A1 were the strongest interactions between A1 and the S100A11 dimer. The different conformations of the A1t were attributed to the interaction between W12 of the A1-ND with M63 of S100A11 which caused a kink in the A1-ND. Cross-correlation analysis revealed strong correlated motion throughout the A1t. Strong positive correlation was observed between the ND and S100A11 in all simulations regardless of conformation. This work suggests that the stable binding of the first 11 residues of A1-ND to S100A11 is potentially a theme for Annexin-S100 complexes and that the flexibility of the A1-ND allows for multiple conformations of the A1t.Communicated by Ramaswamy H. Sarma.

&lt;b&gt;Background and Objective:&lt;/b&gt; Molepo Dam is a small dam with several aquatic animal species. An assessment of the water quality index of Molepo Dam is necessary because it is situated close to a largely rural community. In this study, the physicochemical variables of Molepo Dam were observed to better understand the water quality situation of this dam. &lt;b&gt;Materials and Methods:&lt;/b&gt; The study was carried out from October 2022 to March 2023; 126 samples of water were taken from the Molepo Dam. The physicochemical parameters of the water were determined through standard methods. &lt;b&gt;Results:&lt;/b&gt; The site within the dam exhibited a clear separation. Site 1, 2 and 4 were found to be more similar to each other, while Site 3 was separated from them. Site 5, 6 and 7 were more similar together as well. The results showed that the pollution level in Site 3 was the lowest. The pollution level in Site 1, 2 and 4 was more similar and the level of pollution in Site 5, 6 and 7 was the highest. &lt;b&gt;Conclusion:&lt;/b&gt; According to the study, pollution levels were found to be different in various parts of the Molepo Dam. This was because the wastewater generated by rural communities was predominantly discharged towards the northern part of the dam.

This study investigates human health risks associated with heavy metals (HMs) occurrence in municipal solid waste (MSW) landfills. For testing of selected MSW landfills steps were involved, including site characterization, soil sampling and chemical testing, statistical analysis, as well as health risk assessment, carcinogenic and non-carcinogenic effects. For the Polish landfill (Radiowo) the average HMs concentrations were found in the following order: Zn (52.74 mg/kg DM) > Pb (28.32 mg/kg DM) > Cu (12.14 mg/kg DM) > Ni (4.50 mg/kg DM) > Cd (3.49 mg/kg DM), while for the Czech landfill (Zdounky): Zn (32.05 mg/kg DM) > Cu (14.73 mg/kg DM) > Ni (4.73 mg/kg DM) > Pb (0.10 mg/kg DM) = Cd (0.10 mg/kg DM). Strong positive correlations between selected HMs demonstrated identical origins. Principal component analysis (PCA) performed for the Radiowo landfill transferred the soil parameters into three principal components (PCs), accounting for 87.12% of the total variance. The results of the PCA analysis for the Zdounky landfill revealed three PCs responsible for 95.16% of the total variance. The exposure pathways of HMs for landfills were in the following order: ingestion > dermal absorption > inhalation. For both landfills, the values of hazard quotient were lower than 1, indicating no potential negative health effects. In terms of the hazard index (HI), for both landfills, no adverse human health effects occur (HI < 1). The incremental lifetime cancer risk (ILCR) values indicated negligible or acceptable carcinogenic risk of HMs (average ILCR in the range from 5.01E-10 to 5.19E-06)., (© 2024. The Author(s).)

Introduction: To investigate the effects of different drip irrigation periods on soil microbial communities and functions., Methods: Increasing drip irrigation amount at the seedling (S), jointing (J), bell (B), tasseling (T) and grain filling (G) stages of maize were studied using no increase in irrigation amount as control (CK). Principal component analysis was conducted to comprehensively evaluate soil microbial quality following the different drip irrigation treatments. In addition, the characteristics of the community structure and the potential functional composition of soil bacteria and fungi were comparatively analyzed by combining amplicon sequencing and functional prediction methods., Results: The results indicated that MBNT15 was the most important genus for the classification of soil bacterial samples, Saitozyma was the most important genus for the classification of soil fungal samples, and fungi were more important than bacteria for the classification of soil microbial samples. Compared with fungal communities, bacterial communities exhibited high levels of functional diversity. The proportion of metabolism was the highest in the prediction of bacterial primary functions, and carbohydrate metabolism and amino acid metabolism were important functions in the prediction of bacterial secondary functions. BugBase phenotype prediction results showed that soil bacteria under B treatment had a higher number of aerobic bacteria and greater resistance to disease and stress. The J treatment had the highest number of bacteria with biofilm forms, and the J, S, and G treatments contained more potentially pathogenic bacteria but fewer stress-tolerant bacteria compared with the CK treatment. The number of Saprotroph was the largest and the number of Symbiotroph was the least. The relative abundances of Saprotroph, Pathotroph and Symbiotroph were 68.60%~74.33%, 15.76%~20.60% and 9.16%~11.13%, respectively., Discussion: The findings provide a reference for conserving water resources, improving maize yield, and predicting soil microbial metabolic potential and function by reflecting the richness of the soil microbial community structure in maize fields., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2024 Wang, Wang and Wang.)

This study aimed to evaluate the postharvest characteristics of edible fresh white shimeji mushrooms under different UV-C radiation doses. The experimental design used was fully randomized, in a 5 × 8 factorial scheme (UV-C radiation dose: 0 (control), 1, 2, 3, and 4 kJ m -2 x day of analysis), with 3 replications of 70 ± 1 g mushrooms each. After exposure to different doses, they were stored at 2 ± 0.5 °C and 60 ± 3.8 % RH. Data were subjected to permutational multivariate analysis (PERMANOVA) (p ≤ 0.05). There was no significance for interaction, nor the factor day, only for the UV-C radiation doses factor. Regarding PCA, among the doses applied, the dose of 2 kJ m -2 was effective in maintaining the quality of mushrooms with greater lightness, greater whiteness index, a greater amount of total extractable polyphenols, and total antioxidant activity. In conclusion, the dose of 2 kJ m -2 was effective in maintaining the postharvest quality of white shimeji mushrooms., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2024 The Authors.)

Soil is a unique ecosystem with peculiar biodiversity that includes cyanobacteria and algae. Traditionally, cyanobacterial and algal cenoses were described mainly using the dominance approach, rarely based on the Braun-Blanquet method (floristic classification). More importantly, in both cases, the species of cyanobacteria and algae in communities were identified using classical methods (light microscopy) only. In this study, we present results of soil algal cenoses classification using the Braun-Blanquet approach based on species composition data obtained via an integrative approach. Characteristic tables include 19 out of 108 samples collected in the Jewish Autonomous Region, Primorsky Territory, and Sakhalin Region (Iturup Island) in 2018 and in 2020-2021. Twenty-five species of algae from four classes were identified in these sites. We described three new associations of algal communities- Coelastrelletum aeroterrestricae ass. nova, Vischerietum magnae ass. nova, Bracteacoccetum bullati ass. nova. PCA analysis corroborated the results of syntaxonomic analysis and revealed that Coelastrelletum aeroterrestricae inhabit soils with a high value of P; Vischerietum magnae inhabit soils with high value of soil organic carbon (SOC), N, and higher humidity; and Bracteacoccetum bullati inhabit soils with high K values.

Macrophage populations exist on a spectrum between the proinflammatory M1 and proresolution M2 states and have demonstrated the ability to reprogram between them after exposure to opposing polarization stimuli. Particulate matter (PM) has been repeatedly linked to worsening morbidity and mortality following respiratory infections and has been demonstrated to modify macrophage function and polarization. The purpose of this study was to determine whether diesel exhaust particles (DEP), a key component of airborne PM, would demonstrate polarization state-dependent effects on human monocyte-derived macrophages (hMDMs) and whether DEP would modify macrophage reprogramming. CD14+CD16- monocytes were isolated from the blood of healthy human volunteers and differentiated into macrophages with macrophage colony-stimulating factor (M-CSF). Resulting macrophages were left unpolarized or polarized into the proresolution M2 state before being exposed to DEP, M1-polarizing conditions (IFN-γ and LPS), or both and tested for phagocytic function, secretory profile, gene expression patterns, and bioenergetic properties. Contrary to previous reports, we observed a mixed M1/M2 phenotype in reprogrammed M2 cells when considering the broader range of functional readouts. In addition, we determined that DEP exposure dampens phagocytic function in all polarization states while modifying bioenergetic properties in M1 macrophages preferentially. Together, these data suggest that DEP exposure of reprogrammed M2 macrophages results in a highly inflammatory, highly energetic subpopulation of macrophages that may contribute to the poor health outcomes following PM exposure during respiratory infections. NEW & NOTEWORTHY We determined that reprogramming M2 macrophages in the presence of diesel exhaust particles (DEP) results in a highly inflammatory mixed M1/M2 phenotype. We also demonstrated that M1 macrophages are particularly vulnerable to particulate matter (PM) exposure as seen by dampened phagocytic function and modified bioenergetics. Our study suggests that PM causes reprogrammed M2 macrophages to become a highly energetic, highly secretory subpopulation of macrophages that may contribute to negative health outcomes observed in humans after PM exposure.

Background: Capparis spinosa L. is a typical desert plant that is resistant to high temperatures and drought, and at the same time is rich in medicinal and food values. The objective of this study is to explore the variations in nutrient composition, morphological characteristics, and SDS-PAGE patterns of caper seeds from different provenances, aiming to provide insights for the selection of superior seed provenances., Results: In this experiment, there were significant differences in the morphological characteristics and major nutritional components of caper seeds from different provenances. Seeds from the YKL (Karayagaqi Township, Yining County) and YKG (G218, KashiTown, Yining County) regions were larger in size compared to seeds from other regions. Among the four measured nutritional components, crude fat had the highest content, especially in the YKL and YKG region. The results of correlation analysis showed that crude fat was negatively correlated with soluble sugar and soluble protein but significantly positively correlated with starch content. As longitude increased from east to west, the morphological characteristics gradually increased. Based on the principal component analysis of all the parameters of the seeds, the eight provenances could be classified into three groups. HM (Hami), TGS (S202, Gaochang District, Turpan), HYW (Wubao Town, Yizhou District, Hami), TQQ (Qiquanhu Town, Turpan), and TLF (Turpan) were a group with higher soluble protein, soluble sugar, and water content. YKL and YKG were in one group, which had larger seed grains with high crude fat and starch content. AKS (Aksu) was in a separate group. The protein fractions from seeds of eight regions were extracted using Osborne fractionation method, it was found that glutelin content was the highest, while albumin content was the lowest. After these proteins were analyzed by SDS-PAGE, the electrophoretic patterns showed that the protein molecular weights were relatively small, and there were differences in protein bands among different provenances., Conclusion: According to the PCA results, the eight seed provenances could be divided into three groups. There were both geographically distant ones clustered into one group, and those close to each other were also divided into one group. There were differences in seed morphology, nutrient content and SDS-PAGE profiles among the different seed sources. This difference might be caused by a combination of geographic and climatic factors. In addition, YKL and YKG were roughly selected as good seed provenances, which provided a theoretical basis for the development of C. spinosa L. germplasm resources., (© 2023. The Author(s).)

Tuberculosis (TB) continues to pose a global health challenge, exacerbated by the rise of drug-resistant strains. The development of new TB therapies is an arduous and time-consuming process. To expedite the discovery of effective treatments, computational structure-based drug repurposing has emerged as a promising strategy. From this perspective, conditionally essential targets present a valuable opportunity, and the mycobactin biosynthesis pathway stands out as a prime example highlighting the intricate response of Mycobacterium tuberculosis (Mtb) to changes in iron availability. This study focuses on the repurposing and revival of FDA-approved drugs (library) as potential inhibitors of MbtA, a crucial enzyme in mycobactin biosynthesis in Mtb conserved among all species of mycobacteria. The literature suggests this pathway to be associated with drug efflux pumps, which potentially contribute to drug resistance. This makes it a potential target for antitubercular drug discovery. Herein, we utilized cheminformatics and structure-based drug repurposing approaches, viz., molecular docking, dynamics, and PCA analysis, to decode the intermolecular interactions and binding affinity of the FDA-reported molecules against MbtA. Virtual screening revealed ten molecules with significant binding affinities and interactions with MbtA. These drugs, originally designed for different therapeutic indications (four antiviral, three anticancer, one CYP450 inhibitor, one ACE inhibitor, and one leukotriene antagonist), were repurposed as potential MbtA inhibitors. Furthermore, our study explores the binding modes and interactions between these drugs and MbtA, shedding light on the structural basis of their inhibitory potential. Principal component analysis highlighted significant motions in MbtA-bound ligands, emphasizing the stability of the top protein-ligand complexes (PLCs). This computational approach provides a swift and cost-effective method for identifying new MbtA inhibitors, which can subsequently undergo validation through experimental assays. This streamlined process is facilitated by the fact that these compounds are already FDA-approved and have established safety and efficacy profiles. This study has the potential to lay the groundwork for addressing the urgent global health challenge at hand, specifically in the context of combating antimicrobial resistance (AMR) and tuberculosis (TB).

Background: The behavior of patients undergoing metabolic bariatric surgery (MBS) has been widely investigated to better understand their attitudes and to formulate effective advisory strategies. Although these elements have been studied separately, the magnitude of these behaviors still needs to be determined from a combined factors approach. This study aimed to identify the lifestyle patterns of patients who underwent MBS 5 or more years ago., Methods: In this observational study, 123 patients who underwent MBS at least 5 years ago were included. Anthropometric data, sociodemographic profile, dietary intake, physical activity level, sleeping, smoking, and alcohol consumption were collected for all participants. Lifestyle pattern was evaluated using principal component analysis (PCA) and the Kaiser-Meyer-Olkin (KMO) index was applied to evaluate data factorability., Results: PCA identified two patterns of behavior adopted by the participants in the late postoperative (PO) period (more than 5 years PO) of MBS. In the first pattern, a positive correlation was found between consumption of ultra-processed foods (r = 0.459), risky consumption of alcoholic beverages (r = 0.630), and tobacco use (r = 0.584). In the second, a positive correlation was observed between the consumption of unprocessed or minimally processed foods (r = 0.692) and more sleep time per day (r = 0.654)., Conclusion: After 5 years of PO, combined behavior analysis revealed healthy and unhealthy lifestyle patterns, which points to the relevance of permanent clinical follow-up of these patients to ensure the best health status., (© 2023. This is a U.S. Government work and not under copyright protection in the US; foreign copyright protection may apply.)

The data for provide evidences of the multi steady state of the human cell line HEK 293 was obtained from 2 L bioreactor continuous culture. A HEK 293 cell line transfected to produce soluble HER1 receptor was used. The bioreactor was operated at three different dilution rates in sequential manner. Daily samples of culture broth were collected, a total of 85 samples were processed. Viable cell concentration and culture viability was addressing by trypan blue exclusion method using a hemocytometer. Heterologous HER1 supernatant concentration was quantified by a specific ELISA and the metabolites by mass spectrometry coupled to a liquid chromatography. The primary data were collected in excel files, where it was calculated the kinetic and other variables by using mass balance and mathematical principles. It was compared the steady states behavior each other's to find out the existence of steady states' multiplicity, taking into account the stationary phase with respect to the cell density (which means its coefficient of variation is less than 20 %). From the metabolic measurements by using Liquid Chromatography coupled to mass spectrometry (LC-MS), it was also built the data matrix with the specific rates of the 76 metabolites obtained. The data were processed and analyzed, using multivariate data asssnalysis (MVDA) to reduce the complexity and to find the main patterns present in the data. We describe also the full data of the metabolites not only for steady states but also in the time evolution, which could help others in terms of modeling and deep understanding of HEK293 metabolism, especially under different culture conditions., (© 2023 The Authors. Published by Elsevier Inc.)

Testing the feasibility of soil phytoremediation requires the development of models applicable on a large scale. Phytoremediation mechanisms include advanced rhizosphere biodegradation, phytoaccumulation, phytodegradation, and phytostabilization. The aim of this study was to evaluate the phytoremediation potential of the Sinapis alba. Identification of the factors influencing the extraction process of metals from contaminated soils in a laboratory system suitable for evaluating the phytoavailability of these metals in three solutions (M1-CaCl 2 , M2-DTPA, and M3-EDTA) included the following: distribution of metals in solution (Kd), soil properties and mobile fractions (SOC, CEC, pH), response surface methodology (RSM), and principal component analysis (PCA). The evaluation of the phytoremediation potential of the Sinapis alba plant was assessed using bioaccumulation coefficients (BACs). The accumulation of heavy metals in plants corresponds to the concentrations and soluble fractions of metals in the soil. Understanding the extractable metal fractions and the availability of metals in the soil is important for soil management. Extractable soluble fractions may be more advantageous in total metal content as a predictor of bioconcentrations of metals in plants. In this study, the amount of metal available in the most suitable extractors was used to predict the absorption of metals in the Sinapis alba plant. Multiple regression prediction models have been developed for estimating the amounts of As and Cd in plant organs. The performance of the predictive models generated based on the experimental data was evaluated by the adjusted coefficient of determination (aR2), model efficiency (RMSE), Durbin-Watson (DW) test, and Shapiro-Wilk (SW) test. The accumulation of the analyzed metals followed the pattern Root > Pods > Leaves > Seeds, stems > Flowers for As and Leaves > Root > Stem > Pods > Seeds > Flowers for Cd in soil contaminated with different metal concentrations. The obtained results showed a phytoremediation potential of the Sinapis alba plant.

Evaluating the consistency of herb injectable formulations could improve their product quality and clinical safety, particularly concerning the composition and content levels of trace ingredients. Panax notoginseng Saponins Injection (PNSI), widely used in China for treating acute cardiovascular diseases, contains low-abundance (10%-25%) and trace saponins in addition to its five main constituents (notoginsenoside R 1 , ginsenoside Rg 1 , ginsenoside Re, ginsenoside Rb 1 , and ginsenoside Rd). This study aimed to establish a robust analytical method and assess the variability in trace saponin levels within PNSI from different vendors and formulation types. To achieve this, a liquid chromatography-triple quadrupole mass spectrometry (LC-MS/MS) method employing multiple ions monitoring (MIM) was developed. A "post-column valve switching" strategy was implemented to eliminate highly abundant peaks (NR 1 , Rg 1 , and Re) at 26 min. A total of 51 saponins in PNSI were quantified or relatively quantified using 18 saponin standards, with digoxin as the internal standard. This study evaluated 119 batches of PNSI from seven vendors, revealing significant variability in trace saponin levels among different vendors and formulation types. These findings highlight the importance of consistent content in low-abundance and trace saponins to ensure product control and clinical safety. Standardization of these ingredients is crucial for maintaining the quality and effectiveness of PNSI in treating acute cardiovascular diseases., (Copyright © 2023 China Pharmaceutical University. Published by Elsevier B.V. All rights reserved.)

Soil aggregation in forest ecosystem is considered as a significant physical process mainly influenced by manure, fertilizers or combination. This aggregation may directly alter the soil nutrient and their fractions in soil. So, soil samples were collected from two types of forests i.e. Natural Korean pine forests (NKPF) and Korean pine plantation (KPP) in order to know the quantities of organic and inorganic Phosphorus (P) amounts in different aggregate sizes viz. >5 mm, 2-5 mm, 0.25-2 mm, <0.25 mm under forest litter and synthetic fertilizer application below the treatments as undisturbed soil (CK), removed litter (RL), altered litter (AL) while the fertilizer treatments were as control; C: (No added N and P,), L: low (5 g N m -2 a -1  + 5 g P m -2 a -1 ), M: medium (15 g N m -2 a -1  + 10 g P m -2 a -1 ) and H: high concentration (30 g N m -2 a -1  + 20 g P m -2 a -1 ), respectively. The results showed that H 2 O-Pi, NaHCO 3 -Pi, Residual Pi, SOC were highest retained in larger soil aggregates (>5 mm) and decreased with the decreasing aggregate size, while other variables, i.e., NaOH-Pi, NaHCO 3 -Po, pH and T-N were not affected in aggregate size. H 2 O-Pi (48 ppm), NaHCO 3 -Pi (68 ppm), NaHCO 3 -Po (80 ppm), NaOH-Po (623 ppm), HCL-Po (67 ppm), SOC (20.36 ± 1.6) was estimated in medium fertilizer treatment. PCA analysis showed that spread/variance of data points on F1 (62.90%) is more than spread/variance of data points on F2 (57.74%) in NKPF and KPP, respectively, while correlation matrix showed high correlation between H 2 O-Pi and NaOH-Pi (0.63) and H 2 O-Pi and NaHCO 3 -Pi (0.63) while a strong negative correlation was present between Res-Pi and Po (-0.61). Moreover, litter inputs increased the organic-P fractions in soil particularly at medium treatment., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2023 The Authors. Published by Elsevier Ltd.)

Diversity lifts the productivity of any ecosystem as all the species have a vital role to play that is present within the ecosystem. The characterization is essential to delve into the ecological functions of microbial communities and discover the type of microorganisms present within the ecosystem. As microbial diversity in ecosystems responds to environmental disturbances, it functions as a marker to indicate the change in such ecosystems. Mine ecology differs significantly from other habitats due to the presence of acidic runoff. This paper provides insight into the diversity of cultivable bacteria isolated from lignite mines located in south Gujarat. A total of 67 heterotrophic isolates were successfully cultivated from the collected solid and water samples of the Rajpardi and Tadkeshwar Lignite mine sites. The isolates were characterized morphologically and biochemically, and intra- and extracellular enzyme synthesis were studied. Moreover, the relative density and frequency of cultivated isolates from the samples were calculated. The similarity and evenness of the heterotrophic isolated were studied by calculating diversity indices such as Shannon and Simpson. Alpha diversity was calculated in PAST software to analyse the similarity between the selected two mine sites. This research also explored the relationship between the variance in heterotrophic microbial diversity and substrate utilization richness of the studied lignite mines of Gujarat., (© 2023. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)

Algal-dissolved organic matter (ADOM) is an important fraction of dissolved organic carbon (DOC) in eutrophic water. Although ADOM is known to be readily transformed by microbes, the role of sunlight-induced photochemical process and the interactions between two processes on ADOM transformation remains unclear. In this study, three types of treatments for ADOM, including photochemical process under natural solar light (L treatment), microbial process (M treatment), and the simultaneous photochemical plus microbial process (L&M), were performed for 18 days. Our results showed that M treatment was more effective for the loss of DOC, chromophoric DOM (CDOM) at short wavelengths (a 254 and a 280 ), than L treatment, while L treatment was more effective for the transformation of a 350 and the fluorescent components of the ubiquitous humic-like component and the tryptophan-like component. Comparison in the decay kinetics of DOC and CDOM in the three treatments showed that the simultaneous photochemical and biological processes exhibited an inhibitory effect on DOC decay rate but not the percentage of labile DOC fraction. Higher relative abundance of protein-like substances was found after L&M treatment, while the relative abundance of humic-like substance and aromaticity increased after M treatment, and the low molecular-weight compounds were produced after L treatment. Our results emphasized the importance of photochemistry in processing ADOM to mediate the chemodiversity in natural water., (© 2023. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

This study aimed to identify the most important variables of male and female beach handball workload demands and compare them by sex. A total of 92 elite Brazilian beach handball players (54 male: age 22.1 ± 2.6 years, height 1.8 ± 0.5 m, weight 77.6 ± 13.4 kg; and 38 female: age 24.4 ± 5.5 years, height 1.7 ± 0.5 m, weight 67.5 ± 6.5 kg) were analyzed in 24 official matches during a four-day congested tournament. From 250 variables measured by the inertial measurement unit, fourteen were extracted for analysis using Principal Component Analysis as selection criteria. Five Principal Components (PC) were extracted that explained 81.2-82.8% of total variance (overview of workload demands during beach handball). Specifically, 36.2-39.3% was explained by PC1 (Distance Expl , Distance, Distance 4-7 km/h , and Acc), 15-18% by PC2 (Acc Max , Acc 3-4 m/s , Dec 4-3 m/s ), 10.7-12.9% by PC3 (Jumps Avg Take-Off, Jumps Avg Landing and PL RT ), 8-9.4% by PC4 (Distance > 18.1 km/h , Speed Max ), and 6.7-7.7% by PC5 (HR Avg and Step Balance). Sex-related differences were found in the PC distribution of variables, as well as in selected variables (HR Avg , Dec 4-3 m/s , Acc 3-4 m/s , Jumps Avg Take-Off, Jumps Avg Landing, Acc Max , Distance, Distance 4-7 km/h , Acc, Speed Max ) with higher values in male players (p < .05). In conclusion, the sex-related PC distribution and workload demands in beach handball should consider for training design and injury prevention programs., Competing Interests: None of the authors has a conflict of interest to declare, and all authors were involved in the study design, data collection and interpretation, and contributed to the writing of the manuscript. This manuscript is original and not previously published, nor is it being considered elsewhere until a decision is made as to its acceptability by journal Editorial Review Board., (Copyright © Biology of Sport 2023.)

Bistortae Rhizoma (Quanshen), a dried rhizome of Polygonum bistorta L., is edited in Chinese Pharmacopiea as only one of species of Polygonum. There are many adulterants were used as Quanshen such as "Eryeliao," "Taipingyangliao" and "Daogenliao" because of its remarkable functions. Previous researches had shown that there were not significant differences among them. Therefore, it is necessary to conduct a comprehensive authentication of these herbs samples. Analyses of the microscopic features of the powders and transverse sections of herbs are the most significant measures of accreditation of the quality of traditional Chinese medicine. In this study, microscopic observation of powders of the herbs and cross-sectional tissues were performed by using common light microscopy, polarized light microscopy and combining PCA analysis to identify Quanshen and three adulterants. We found that calcium oxalate clusters can be a good microscopic marker index to distinguish Quabshen and Eryeliao. In addition, Quanshen and the other two can be further distinguished by the characteristics of cork layer cells and vascular bundles on transverse section of the rhizome. Our results showed that the approach, microscopic features and digital characterization, is efficient, convenient, and reliable., (© 2022 Wiley Periodicals LLC.)

High-pressure homogenization (HPH) is considered an innovative and modern method of processing and preserving liquid and semi-liquid foods. The aim of this research was to examine the impact of HPH processing on the content of betalain pigments and physicochemical properties of beetroot juice. Combinations of the following HPH parameters were tested: the pressure used (50, 100, 140 MPa), the number of cycles (1 and 3) and the applied cooling or no cooling. The physicochemical analysis of the obtained beetroot juices was based on the determination of the extract, acidity, turbidity, viscosity and color values. Use of higher pressures and a greater number of cycles reduces the turbidity (NTU) of the juice. Moreover, in order to maintain the highest possible extract content and a slight color change of the beetroot juice, it was crucial to perform sample cooling after the HPH process. The quantitative and qualitative profiles of betalains have been also determined in the juices. In terms of the content of betacyanins and betaxanthins, the highest values were found in untreated juice at 75.3 mg and 24.8 mg per 100 mL, respectively. The high-pressure homogenization process resulted in a decrease in the content of betacyanins in the range of 8.5-20.2% and of betaxanthins in the range of 6.5-15.0%, depending on the parameters used. Studies have shown that that the number of cycles was irrelevant, but an increase in pressure from 50 MPa to 100 or 140 MPa had a negative effect on pigment content. Additionally, juice cooling significantly limits the degradation of betalains in beetroot juice.

Crop resilience refers to the adaptive ability of crops to resist drought at a certain level. Currently, most of the research focuses on the changes in root or photosynthesis traits of crops after drought and rehydration. Still, the persistence effect (drought period (T2) - rehydration period (T3) - harvest period (T4)) of drought stress on crops and quantitative estimation of resilience is still unclear. Field experiments were conducted in this study to determine the persistence effects on above-ground and below-ground growth indicators of summer maize at different levels and durations of drought. Next, an evaluation method for integrated resilience of summer maize was proposed, and a quantitative assessment of integrated resilience was made by Principal Component Analysis (PCA) and resilience index calculation. The results showed that the resilience of summer maize decreased with increasing drought levels, which persisted until harvest. Although summer maize resilience was strong after rewatering under light drought (DR1), declined after sustained rewatering. At the same time, production had decreased. However, a specific drought duration could improve the resilience of summer maize under light drought conditions. In particular, leaf biomass and root growth in the 30-50 cm layer could be enhanced under long duration light drought (LDR1), thus improving summer maize resilience and yield. Thus, under water shortage conditions, a certain level and duration drought could improve the resilience and yield of summer maize, which would persist until harvest. Clarifying the persistent effects on the growth indicators of summer maize and quantitatively evaluating the resilience of summer maize could improve agricultural food production and water use efficiency., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2023 Jing, Weng, Yan, Zhang, Bi and Yan.)

Today, integration into automated systems has become a priority in the development of remote sensing sensors carried on drones. For this purpose, the primary task is to achieve real-time data processing. Increasing sensor resolution, fast data capture and the simultaneous use of multiple sensors is one direction of development. However, this poses challenges on the data processing side due to the increasing amount of data. Our study intends to investigate how the running time and accuracy of commonly used image classification algorithms evolve using Altum Micasense multispectral and thermal acquisition data with GSD = 2 cm spatial resolution. The running times were examined for two PC configurations, with a 4 GB and 8 GB DRAM capacity, respectively, as these parameters are closer to the memory of NRT microcomputers and laptops, which can be applied "out of the lab". During the accuracy assessment, we compared the accuracy %, the Kappa index value and the area ratio of correct pixels. According to our results, in the case of plant cover, the Spectral Angles Mapper (SAM) method achieved the best accuracy among the validated classification solutions. In contrast, the Minimum Distance (MD) method achieved the best accuracy on water surface. In terms of temporality, the best results were obtained with the individually constructed decision tree classification. Thus, it is worth developing these two directions into real-time data processing solutions.

The human immunodeficiency virus type 1 protease (HIV-1 PR) is an important enzyme in the life cycle of the HIV virus. It cleaves inactive pre-proteins of the virus and changes them into active proteins. Darunavir (DRV) suppresses the wild-type HIV-1 PR (WT-Pr) activity but cannot inhibit some mutant resistant forms (MUT-Pr). Increasing knowledge about the resistance mechanism can be helpful for designing more effective inhibitors. In this study, the mechanism of resistance of a highly MUT-Pr strain against DRV was investigated. For this purpose, complexes of DRV with WT-Pr (WT-Pr-D) and MUT-Pr (MUT-Pr-D) were studied by all-atom molecular dynamics simulation in order to extract the dynamic and energetic properties. Our data revealed that mutations increased the flap-tip flexibility due to the reduction of the flap-flap hydrophobic interactions. So, the protease's conformation changed from a closed state to a semi-open state that can facilitate the disjunction of DRV from the active site. On the other hand, energy analysis limited to the final basins of the energy landscape indicated that the entropy of binding of DRV to MUT-Pr was more favorable than that of WT-Pr. However, the enthalpy penalty overcomes it and makes binding more unfavorable relative to the WT-Pr. The unfavorable interaction of DRV with R8, I50, I84, D25', and A28' residues in MUT-Pr-D relative to WT-Pr-D is the reason for this enthalpy penalty. Thus, mutations drive resistance to DRV. The hydrogen bond analysis showed that compared with WT-Pr, the hydrogen bonds between DRV and the active-site residues of MUT-Pr were disrupted., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2022 Shabanpour, Sajjadi, Behmard, Abdolmaleki and Keihan.)

The present study examined the efficacy of dietary selenium-enriched spirulina (SeE-SP) on growth performance, antioxidant response, liver and intestinal health, immunity and disease resistance of Asian seabass, Lates calcarifer. A total of 480 seabass juveniles with an initial weight of 9.22 ± 0.09 g/fish were randomly assigned to four dietary groups. The fish were fed a fishmeal protein replacement diets with SeE-SP at 5%, 10%, and 20%, namely SeE-SP5, SeE-SP10, and SeE-SP20, and a fishmeal-based diet as control for 8 weeks. The results indicated that seabass juveniles fed SeE-SP5 and SeE-SP10 diets grew at the same rate as the fish fed a fishmeal-based control diet after 8 weeks of feeding, while SeE-SP20 grew at a significantly lower rate than the control (p < 0.05). Although most of the measured biochemical parameters were not influenced by the Se-SP diets, serum antioxidant-enzyme glutathione peroxidase (GPx) and immunological indices, such as lysozyme activity and immunoglobulin-M, were found significantly higher in the SeE-SP5 and SeE-SP10 diets compared to control. In addition, the fish fed the SeE-SP5 diet showed significantly lower mortalities after the 14-day of bacterial challenge with V. harveyi. These outcomes indicated that up to 10% inclusion of SeE-SP in the diet of juvenile Asian seabass does not compromise growth, while SeE-SP5 enhanced disease resistance in juvenile seabass.

VOCs emitted by flowers play an important role in plant ecology. In the past few years, the Tillandsia genus has been scarcely studied according to the VOCs emitted by flowers. Hence, we decided to enlarge the VOCs composition study already undergone in our laboratory on fragrant 3 Tillandsia species to 12 unscented and 2 faint-scented Tillandsia species and hybrids. The headspace solid phase microextraction (HS-SPME) coupled with gas chromatography combined with the mass spectrometry (GC-MS) method was used to explore the chemical diversity of the VOCs. This study allowed the identification of 65 VOCs among the 14 species and between 6 to 25 compounds were identified in each of the species. The aromatic profile of 10 of the species and hybrids are similar to each other's and show 8 predominant compounds: benzaldehyde, benzacetaldehyde, hexanol, hexanal, heptanal, octanal, nonanal, and furan-2-pentyl. Some specific compounds are present only in some unique species such as trans-calamenene, α-muurolene, and α-guaiene trans-β-bergamotene. The two faint-scented species studied present an original aromatic profile with a high number of monoterpenes or phenylpropanoids/benzenoids. Our studies allow a better understanding of the ecological role and function of these VOCs in the interactions between these plants with their environment.

This study evaluated the elemental composition of 25 herbal tea plants commonly used in infusions by Portuguese consumers and the contribution to the elemental daily intake of some essential elements. Hydrocotyle asiatica (L.), Matricaria chamomilla (L.), and Melissa officinalis (L.) samples are a rich source of K with around 6.0 mg g -1 while the Asteraceae Silybum marianum (L.) and Echinacea angustifolia (DC.) exhibited 4.9 and 5.6 mg g -1 Ca, respectively. The highest concentrations of S and Zn were noted in Hydrocotyle asiatica (L.), while the highest concentration of Sr was found in Cassia angustifolia (Vahl.). In general, a large variability in the concentrations among different families and plant organs had been observed, except Cu with levels around 30 μg g -1 . The principal component analysis (PCA) showed positive correlations between Zn and S and Sr and Ca, also revealing that Hydrocotyle asiatica (L.), Echinacea angustifolia (DC.), Silybum marianum (L.), and Cassia angustifolia (Vahl.) samples, stands out about all other samples regarding the enrichment of macro and micronutrients. The elemental solubility of macronutrients in the infusion is greater than the micronutrient solubility, despite the contribution to the recommended daily intake was weak. As a whole, Cynara scolymus (L.) and Hibiscus sabdariffa (L.) are the species with the best elemental solubilities, followed by Hydrocotyle asiatica (L.). No harmful elements, such as As and Pb, were observed in both the raw material and the infusions.

Industrially developed cities affect public health, and can directly cause inconvenience to the nearby societies especially due to their associated air pollution. In this context, the present study was conducted in Jharsuguda district of Odisha state (India), which is a well-known worldwide hub of industrial clusters. The study area is having mainly medium to large scale industries which makes it prone to poor air quality. A total of twelve air pollutants, namely, PM 10 , PM 2.5 , SO 2 , NO 2 , CO, O 3 , NH 3 , and heavy metals (Cu, Mn, Ni, Pb, Zn) were monitored during winter season, at the 16 locations of study area. The air quality data was further assessed using multivariate analysis, and the obtained information was presented using histogram plots, box plots, cluster analysis, principal component analysis (PCA), analysis of variance (ANOVA) analysis, and air quality index (AQI). The statistical analysis results revealed that PM 10 and PM 2.5 levels exceeded the permissible limits of study area, ∼40 and 30% of sampling times, respectively. Contrary, values of other pollution parameters were observed to be well within the permissible limits. The cluster analysis distinguishingly summarized the monitoring data into four clusters types, named as severely polluted, moderately polluted, satisfactory, and fine. The PCA analysis of monitored data resulted in identification of prominent emission sources of analyzed pollutants. These sources were mainly found to be associated with coal burning in power plants, agricultural activities, vehicular emissions, and mining activities. The minimum AQI was observed as 87 at Orient (mine no. 4) and Kinjirma which is under satisfactory category, whereas maximum AQI was observed at Bhedabahal with a value of 132 which is under moderate category. Overall, the results of this study indicated that the air pollution of industrial areas must be evaluated thoroughly on regular basis, considering the sustainability of societies and expanding industries., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

This study was designed to characterise the cultured and wild populations of Anabas testudineus in Malaysia using morphological parameters. Fish samples from the East and West coast of the country were obtained from fishermen (wild samples) and well-recognised climbing perch farmers in Kedah, Kelantan, Johor and Selangor. The Truss network method was applied to obtain necessary data and analysed to examine phenotypic variation between the cultured and wild stocks. Results obtained suggest that each hatchery population belonged to a distinct stock as revealed by their separate clustering into individual unique groups. However, an extensive overlap was observed in the wild population suggesting similarity of origin. The most important morphological parameters for the discrimination of the two populations are the homologous landmark B (i.e., snout to insertion of the pelvic fin) and C (i.e., above the eye to insertion of the pelvic fin). Genetic characterisation of the A. testudineus is needed to complement the findings of this study and establish a baseline for the development of a selective breeding programme for the fish species in Malaysia., (© Penerbit Universiti Sains Malaysia, 2022.)

In this work, seven Citrus aurantium essential oils (EOs) derived from flavedo of cultivars 'Canaliculata', 'Consolei', 'Crispifolia', 'Fasciata', 'Foetifera', 'Listata', and 'Bizzaria' were investigated. EOs were also combined in 1:1 ( v / v ) ratio to identify possible synergism or antagonism of actions. GC-MS analysis was done to investigate Eos' phytochemical profiles. The antioxidant activity was studied by using a multi-target approach based on FRAP, DPPH, ABTS, and β-carotene bleaching tests. A great difference was observed in EOs' phytochemical profiles. d-limonene (33.35-89.17%) was the main monoterpene hydrocarbon, and α-Pinene, β-myrcene, and β-linalool were identified in almost all samples. Among EOs, only C3 showed high quantitative and qualitative variability in its chemical composition. The chemical diversity of EOs was also demonstrated by PCA and HCA statistical analysis. Samples C2, C4, C5, C6, and C7 were statistically similar to each other, while C1 and C3 were characterized as having a different amount of other compounds and oxygenated monoterpenes, respectively, with respect to the other EOs mentioned. The global antioxidant score (GAS) revealed that among the tested EOs, C. aurantium 'Fasciata' EO had the highest antioxidant potential, with a GAS value of -0.47, whereas among combinations, the EO obtained by mixing 'Canaliculata' + 'Bizzaria' was the most active. Comparison by theoretical and real data on inhibitory concentration (IC 50 ) and FRAP values did not reveal any significant effect of synergism or antagonism of actions to be valid in all biological applied tests. These findings, considered together, represent an important starting point to understand which compounds are responsible for the activities and their future possible industrial application.

The poor water-solubility and stability of capsaicin limits its widespread application in the industry. Spray-dried capsaicin microcapsules were fabricated using whey protein (WP) and octenyl-succinic-anhydride-modified starch (OS) as wall materials in this study. The aim is to investigate the impact of protein/starch ratio on microcapsules' physicochemical characteristics and stability. SEM images showed that microcapsule granules were uneven in size, and irregular, with some wrinkles and dents. FTIR illustrated a chemical interaction between capsaicin and composite wall materials. XRD showed that the spray-dried powders were mainly in amorphous form. As the whey protein content decreased, the yield (9.32-68.18%), encapsulation efficiency (49.91-94.57%), wettability (158.87-232.63 s), and solubility (74.99-96.57%) of samples decreased, but the mean particle size (3.22-26.03 μm), apparent viscosity, and shear stress tended to increase. Besides, DSC revealed that the glass transition temperatures (Tg) of samples were at around 85 °C. Capsaicin microcapsules with WP:OS at the ratio of 7:3 possessed the highest Tg, and the best storage stability. Based on our research, microencapsulation significantly improved the stability and the water-solubility of capsaicin. A small amount of OSA-starch mixed with whey protein as a promising carrier for capsaicin would greatly promote the application of capsaicin in the food industry.

The goal of the study was to evaluate the pollen spectrum, antioxidant capacity and mineral content of four Hungarian honey types, using multivariate statistical analysis. The light colored honeys were represented by milkweed honey and a multifloral (MF) honey with dominant pollen frequency of linden (MF- Tilia ); the darker ones were goldenrod honey and a multifloral honey with Lamiaceae pollen majority (MF-Lamiaceae). The pollen spectrum of the samples was established with melissopalynological analysis. The absorbance of the honeys positively correlated with the antioxidant capacity determined with three of the used methods (TRC, TEAC, DPPH), but not with ORAC. The latter method correlated negatively also with other antioxidant methods and with most of the mineral values. MF- Tilia had high ORAC value, K and Na content. The MF-Lamiaceae had the highest K, Mg, P, S, Cu and Zn content, the last five elements showing strict correlation with the TRC method. The darker goldenrod honey had higher SET values and total mineral content, than the milkweed honey. The above character-sets facilitate identification of each honey type and serve as indicators of variety. The antioxidant levels and mineral content of honeys allowed their clear separation by principal component analysis (PCA).

&lt;b&gt;Background and Objective:&lt;/b&gt; Water quality in freshwater bodies is involved with multiple aspects such as physical, chemical and biological processes and their interactions. Due to the vulnerability of water resources, quality control of surface water is one of the key issues in environmental conservation programs. The objectives of the present work were to study the water quality in the Anzali Lagoon and to study the classification of water based on the water quality index in different parts of the Anzali Lagoon. &lt;b&gt;Materials and Methods:&lt;/b&gt; In this study, we sampled water from January to December, 2015 in the Anzali Lagoon. All physicochemical parameters were sampled and determined according to standard methods. &lt;b&gt;Results:&lt;/b&gt; The Water Quality Index results showed the Anzali Lagoon water quality had been "medium" in site 1 and "bad" in sites 2, 3 and 4. The result showed a significant difference between sit 1 and sites 2, 3 and 4 (p<0.05). However, there was no significant difference between sit 2, 3 and 4 (p>0.05). The result showed a clear spatial separation among parts in the Anzali Lagoon. The Eastern part of the Anzali Lagoon showed lower water quality compared to the central and western stations. &lt;b&gt;Conclusion:&lt;/b&gt; This study showed that the level of pollution was different on all of the Anzali Lagoons. The water of the Anzali Lagoon has different quality classes according to the aggregation methods employed. Nutrient loadings from the adjacent agricultural lands combined with high mean salinity values affect all organism conditions. The three primary sources of nutrients, including fertilizers used in agriculture, household waste and livestock waste, reduced the water quality of the Anzali Lagoon.

In the present era marine biotechnologies are dominating the world of scientific research assisted by great advances in molecular biology techniques, and microbial community analysis provides useful tool to investigate their diversity and their potential for biotechnological applications. In fact, several marine organisms harbor diverse microbial associated communities, which play key roles for their host functioning and are rich sources of bioactive natural compounds. Here, we describe the fundamental steps of metataxonomic analysis of microbial communities associated with marine organisms., (© 2022. The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.)

The global spread of SARS-CoV-2 has resulted in millions of fatalities worldwide, making it crucial to identify potent antiviral therapeutics to combat this virus. We employed structure-assisted virtual screening to identify phytochemicals that can target the two proteases which are essential for SARS-CoV-2 replication and transcription, the main protease and papain-like protease. Using virtual screening and molecular dynamics, we discovered new phytochemicals with inhibitory activity against the two proteases. Isoginkgetin, kaempferol-3-robinobioside, methyl amentoflavone, bianthraquinone, podocarpusflavone A, and albanin F were shown to have the best affinity and inhibitory potential among the compounds, and can be explored clinically for use as inhibitors of novel coronavirus SARS-CoV-2.Communicated by Ramaswamy H. Sarma.

Since 1970, numerous governments have established strategic petroleum reserves (SPRs) in relation to oil supply interruptions. In this study, important oil reserves, physical oil supply disruption and social welfare losses due to physical distribution of oil supply have been measured. The physical oil supply disruption has been measured in the form of oil supply vulnerability index and oil volatility index of the South Asian economies. Analysis reveals that the accumulation and drawdown of important national crude oil strategic petroleum reserves where the state wants to optimize individual social welfare while individuals hold over stock optimize their earnings levels. The monetary deciding factors utilize the government's optimum important stockpile policy and simultaneously the amount and economic factors vital for the nongovernment market to actuate the optimum accumulation and nonaccumulation of important fossil fuels stockpile. Additionally, findings show that India is the lowest crude oil insecure country while Afghanistan and Bangladesh are the highest insecure countries in terms of oil supply. India's topmost mark shows a bigger possibility to alter the fossil fuels producers while Afghanistan, Bangladesh, Bhutan and Nepal have the minimum mark corroborating the group as the utmost producer risk exposed nations., (© 2021. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

Numerous volatile organic compounds (VOCs) with a large chemical diversity are emitted by plant flowers. They play an important role in the ecology of plants, such as pollination, defense, adaptation to their environment, and communication with other organisms. The Tillandsia genus belongs to the Bromeliaceae family, and most of them are epiphytes. The aromatic profile of the Tillandsia genus is scarcely described. In this study, we use the headspace solid phase microextraction (HS-SPME) coupled with gas chromatography combined with mass spectrometry (GC-MS) method developed in our laboratory to explore the chemical diversity of the VOCs of fragrant flowers of three species of the genus Tillandsia . We were able to identify, for the first time, 66 volatile compounds (monoterpenes, sesquiterpenes, phenylpropanoids, and other compounds). We identified 30 compounds in T. xiphioides , 47 compounds in T. crocata , and 43 compounds in T. caliginosa . Only seven compounds are present in all the species studied. Comparison of the volatile compounds profiles by principal component analysis (PCA) between T. xiphoides , T. crocata , and T. caliginosa species showed a clear difference in the floral emissions of the studied species. Moreover, floral VOCs profiles allowed to differentiate two forms of T. xiphioides and of T. crocata .

Tea is one of the most widely consumed aromatic beverages in the world because of its taste and flavor, as well as due to many potential health beneficial properties. Metabolomics focuses on an in-depth analysis of all metabolites in living organisms. In this study, 29 primary metabolites and 25 secondary metabolites were identified using GC/MS and UPLC-QTOF/MS, respectively. Further, PCA analysis showed conspicuous discrimination for the ten varieties of green tea with metabolite profiling. Among them, organic acids, amino acids, flavan-3-ols, and flavonol glycosides varied greatly through checking the VIP values of the PLS-DA model. Moreover, the intrinsic and/or extrinsic factors characterizing each type of green tea were also discussed. The chemical component marker derived here should be used as an important detection index, while evaluating the tea quality, as well as while establishing the tea quality standard., Supplementary Information: The online version contains supplementary material available at 10.1007/s10068-021-00970-4., Competing Interests: Conflicts of interestThe authors declare that there are no conflicts of interest., (© The Korean Society of Food Science and Technology 2021.)

The Surface-Enhanced Raman Scattering (SERS) technique is utilized to fabricate sensors for gas detection due to its rapid detection speed and high sensitivity. However, gases with similar molecular structures are difficult to directly discriminate using SERS gas sensors because there are characteristic peak overlaps in the Raman spectra. Here, we proposed a multiple SERS gas sensor matrix via a spin-coating functional polymer to enhance the gas recognition capability. Poly (acrylic acid) (PAA), Poly (methyl methacrylate) (PMMA) and Polydimethylsiloxane (PDMS) were employed to fabricate the polymer film. The high design flexibility of the two-layer film was realized by the layer-by-layer method with 2 one-layer films. The SERS gas sensor coated by different polymer films showed a distinct affinity to target gases. The principle component analysis (PCA) algorithm was used for the further clustering of gas molecules. Three target gases, phenethyl alcohol, acetophenone and anethole, were perfectly discriminated, as the characteristic variables in the response matrix constructed by the combination of gas responses obtained 3 one-layer and 3 two-layer film-coated sensors. This research provides a new SERS sensing approach for recognizing gases with similar molecular structures.

Wheat bread, produced by the single-phase method, is a common food consumed all over the world. Due to changes in lifestyle and nutritional trends, alternative raw materials are sought to increase the nutritional value and improve the taste of daily consumed products. Additionally, customers seek a wide variety of foods, especially when it comes to basic foods. Nuts, such as coconuts or chestnuts, might provide an attractive flavour with benefits to the nutritional quality. In this study, the effect of substituting wheat flour with coconut or chestnut flour (flour contribution level: 5, 10, 15, 30, 50% w / w ), was evaluated in terms of the breads specific volume, texture, colour, nutritional composition, and dietary fibre fraction contents. Moreover, a sensory evaluation was conducted to assess potential consumer acceptance. Based on the consumer's perception, the overall acceptance of bread with 15% w / w of coconut and chestnut flour was in privilege compared to the control sample. As a result, taking all of the tested parameters into account, the breads with 5, 10, and 15% supplementation of chestnut or coconut flour were still of good quality compared to the wheat bread and their fibre content was significantly higher.

Objective: Optimization of aqueous extraction to extract the maximum amount of polyphenolic compounds that are used to treat oral disorders., Methods: Using revelation tests for phytochemical screening, Folin-Ciocalteu reagent for total phenols, catechin standard for total flavonoids, acidified vanillin for total condensed tannins, and PCA analysis to detect different correlations between plants and between employed extractions., Results: The highest (p < 0.0001); total flavonoides (195,80 ± 2,91 mg CE/g d.e) was obtained from decocted extract of Olea europaea L. subsp. europaea var. sylvestris , total phenolic (167,71 ± 12,52 mg GAE/g d.e) and total condensed tannins (250,44 ± 10,18 mg CE/g d.e) was obtained respectively from soxhlet extract and infused extract of Tetraclinis articulata L. whereas; The correlation analysis using Principal Component Analysis (PCA) was positive between infusion and decoction, between total flavonoids and total phenols which is not correlated with total condensed tannins., Conclusion: Juglans regia L. bark contain a higher level of polyphenolic constituents than leaves, Decoction extraction of Olea europaea L. var. sylvestris leaf recommended to increase the yield of polychenolic extracts, condensed tannins of Tetraclinis articulata L. are degradable in high temperature., Competing Interests: The authors declare no conflict of interest., (© 2021 The Authors.)

The aim of the study was to determine the correlation between the mechanical resistance of iris seed capsules and seeds to Mononychus punctumalbum foraging. The principal component analysis (PCA) demonstrated that the first main component referred to the variety type in 68%, and the second main component described the stage of the ontogenetic development of the plant in 26%. As indicated by the values of each parameter measured, all the parameters were found to exert a strong impact on the variability of the analyzed system. The occurrence of weevil infestation was also strongly but negatively correlated with seed wall thickness and capsule wall thickness. There was a correlation of seed max load and seed mass with the occurrence of the weevil. The analysis of the mechanical resistance of iris seed capsules (in June 9.28 N and September 6.27 N for I. sibirica and in June 6.59 N and September 2.94 N for I. aphylla ) and seeds (in June 15.97 N and September 344.90 N for I. sibirica and in June 16.60 N and September 174.46 N for I. aphylla ) showed significant differences between the terms and species. The PCA analysis revealed that the first variable was correlated with the occurrence of weevil foraging.

This work presents the NiAg nanocavity film for the detection of organic dyes by surface-enhanced Raman spectroscopy (SERS). Nanocavity films were prepared by colloidal lithography using 518-nm polystyrene spheres combined with the electrochemical deposition of Ni supporting layer and Ag nanoparticles homogeneous SERS-active layer. The theoretical study was modelled by finite-difference time-domain (FDTD) simulation of electromagnetic field enhancement near the nanostructured surface and experimentally proven by SERS measurement of selected organic dyes (rhodamine 6G, crystal violet, methylene blue, and malachite green oxalate) in micromolar concentration. Furthermore, the concentration dependence was investigated to prove the suitability of NiAg nanocavity films to detect ultra-low concentrations of samples. The detection limit was 1.3 × 10 -12 , 1.5 × 10 -10 , 1.4 × 10 -10 , 7.5 × 10 -11 mol·dm -3 , and the standard deviation was 20.1%, 13.8%, 16.7%, and 19.3% for R6G, CV, MB, and MGO, respectively. The analytical enhancement factor was 3.4 × 10 5 using R6G as a probe molecule. The principal component analysis (PCA) was performed to extract the differences in complex spectra of the dyes where the first and second PCs carry 42.43% and 31.39% of the sample variation, respectively. The achieved results demonstrated the suitability of AgNi nanocavity films for the SERS-based detection of organic dyes, with a potential in other sensing applications., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Elsevier B.V. All rights reserved.)

Rice is an important source of calorie for the growing world population. Its productivity, however is affected by climatic adversities, pest attacks, diseases of bacterial, viral and fungal origin and many other threats. Developing cultivars that are high yielding and stress resilient seems a better solution to tackle global food security issues. This study investigates the potential resistance of 24 rice cultivars against Xanthomonas oryzae pv. Oryzae ( Xoo ) infection that causes bacterial leaf blight disease and submergence stress. Bacterial leaf blight (BLB) resistance genes ( Xa4, xa5, xa13, Xa21 , Xa38) and submergence tolerance ( Sub1 ) gene specific markers were used to determine the allelic status of genotypes. The results displayed presence of Xa4 resistance allele (78.95%), xa5 (15.79%) but xa13 and Sub1 tolerance allele were not found in any genotype. However, a new allele for Xa21 (84.21%) and Xa38 (10.52%) were identified in several genotypes . Phenotypic screening for both stress conditions was done to record the cultivars response. None of the genotypes showed resistance against Xoo , although varieties viz., Tapaswini and Konark showed moderate susceptibility. Likewise, survival percentage of genotypes under submergence stress varied from 0 to 100%. Tolerant checks FR13A (100%) and Swarna Sub1 (97.78%) exhibited high survival rate, whereas among genotypes, Gayatri (57.78%) recorded high survivability even though it lacked Sub1 tolerant its genetic background. A total of six trait specific STS and two SSR markers generated an average of 2.38 allele per locus. Polymorphism information content (PIC) value ranged from 0.08 to 0.42 with an average of 0.20. Structure analysis categorized 24 genotypes into two sub-populations, which was in correspondence with Nei's genetic distance-based NJ tree and principal co-ordinate analysis (PCoA). Swarna Sub1 could be differentiated clearly from BLB resistant check, IRBB60 and other 22 genotypes without having Sub1 gene. Analysis of molecular variance (AMOVA) revealed more genetic variation within population than among population. Principal component analysis (PCA) showed that 9 morphological traits collectively explained 76.126% of total variation among all the genotypes studied. The information from this study would be useful in future breeding programs for pyramiding trait specific genes into high yielding cultivars that fall behind with respect to stress resilience., Supplementary Information: The online version contains supplementary material available at 10.1007/s12298-021-00951-1., Competing Interests: Conflict of interestThe authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© Prof. H.S. Srivastava Foundation for Science and Society 2021.)

Background: Primary Sjögren's syndrome (pSS) is an autoimmune disease characterized by a lymphocytic infiltrate in salivary glands driving to epithelial damage. The pSS patients present heterogenic clinical and serological characteristics. This heterogenicity could be due to the cytokine microenvironment. Cytokine levels have been analyzed and reported individually, showing controversial results; for that reason, we considered essential to evaluate a cluster of cytokines and relate them with antibody levels and clinical characteristics to find pSS subgroups., Methods: Ninety-nine pSS patients, diagnosed by the 2016 ACR/EULAR classification criteria, and 76 control subjects (CS) were included. Cytokine quantification was performed by Multiplex assay. Principal component analysis (PCA) was realized, and the K-mean test was used to identify clusters/groups. Groups were analyzed by the Kruskal-Wallis test and the Bonferroni test., Results: Higher IFN-γ, IL-17F, IL-21, IL-23, IL-4, and IL-31 levels were observed in pSS patients in comparison with control subjects. PCA analysis showed three groups. The severe group was characterized by higher cytokine concentrations as well as an increase in clinical parameters such as antibody levels, damage index score, and others. The moderate group presented intermediate severity; meanwhile, the mild group presented the lowest severity., Conclusion: Cluster analysis revealed three groups that were different in cytokine levels and clinical parameters in which the mild group was defined by lower severity, the moderate group with intermediate severity, and the severe group with higher severity. This analysis could help subclassify the primary Sjögren syndrome patients for a better understanding of the clinical phenotype that impacts the treatment approach., (© 2020 The Authors. Journal of Clinical Laboratory Analysis published by Wiley Periodicals LLC.)

Essential oils (EOs) obtained from aromatic plants are widely used worldwide, especially in cosmetic and food products due to their aroma and biological properties and health benefits. Some EOs have significant antimicrobial and antioxidant activities, and thus could effectively increase the shelf lives of foodstuff and beverages. In this study, fourteen essential oils (clove, eucalyptus, fennel, lavender, oregano, palmarosa, pepper, star anise, tea tree, turmeric, Chinese yin yang, Japanese yin yang, and ylang ylang) from different medicinal plant families were screened by gas-chromatography-mass spectrometry (GC-MS) for their different chemical profiles and bioassays were performed to assess their antifungal and antioxidant activities. The results obtained were assessed by principal component analysis (PCA). PCA distinguished six groups characterized by different terpene chemotypes. Amongst the EOs studied, the clove EO showed the strongest antioxidant activity characterized by an EC 50 of 0.36 µL/mL. The oregano EO had the greatest antiyeast activity characterized by a minimal inhibitory concentration of 10 µL/mL. In conclusion, clove and oregano EOs are strong antifungal and antioxidant agents, respectively, with great potential in the food industry to avoid spoilage and to increase shelf life.