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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 (EC50) 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.

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Argan is one of the valuable oilseed trees in the Northwest Africa area, with important ecological and socioeconomic benefits; however, information underlying its elemental status remains absent . The current work was performed for the first time to quantify the mineral status of Argania spinosa kernels collected from two different geographic Algerian regions (Mostaganem and Tindouf). Elemental investigation (As, Br, Ca, Ce, Co, Cr, Fe, K, La, Na, Rb, Sb, Sc, Sm, Th, and Zn) was performed using neutron activation analysis (NAA). Two standard reference materials from the National Research Center for certified reference materials (China), namely, CRM-GBW 07605 (GSV-4 tea leaves), and the National Institute of Standards and Technology (USA), namely, NIST (SRM 1573a, tomato leaves), were used to ensure precision and validation of NAA measurements. A computational calculation of data including principal component analysis (PCA) and Pearson correlation coefficient (r) was applied. The extents of essential elements in Mostaganem kernels were found to be in the order of K (7185 µg g-1) > Ca (2079 µg g-1) > Na (205 µg g-1) > Fe (84.33 µg g-1) > Zn (73.41 µg g-1) > Cr (0.66 µg g-1) > Co (0.035 µg g-1), whereas the overall order of these elements in Tindouf kernels was K (7206 µg g-1) > Ca (3725 µg g-1) > Fe (114.69 µg g-1) > Zn (67.37 µg g-1) > Na (56.29 µg g-1) > Cr (0.54 µg g-1) > Co (0.11 µg g-1). PCA results revealed that Tindouf population was highly loaded with Br, Cr, Cu, Mn, Sr, V, and Zn, while Mostaganem population was associated only with Ce and Sm contents. These findings can be useful for making new formulations for cosmetic and culinary usage and contribute to the nutritional database and food safety.

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<b>Background and Objective:</b> 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. <b>Materials and Methods:</b> 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. <b>Results:</b> 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. <b>Conclusion:</b> 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.

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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.

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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.

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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.

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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).

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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.

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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.

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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.

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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.

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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.

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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.

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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).

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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.

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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.

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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-CaCl2, 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.

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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 R1, ginsenoside Rg1, ginsenoside Re, ginsenoside Rb1, 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 (NR1, Rg1, 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.

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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 73YIDI76 motif has found to be significantly affected by the L84S mutation, leading to structural flexibility in the region connecting the C-terminal ß4 and ß5 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.

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Neuroblastoma is the most recurring cancer in childhood and adolescence. The SH-SY5Y neuroblastoma cell line is generally adopted for elaborating new therapeutical approaches and/or elaborating strategies for the prevention of central nervous system disturbances. In fact, it represents a valid model system for investigating in vitro the effects on the brain of X-ray exposure using vibrational spectroscopies that can detect early radiation-induced molecular alterations of potential clinical usefulness. In recent years, we dedicated significant efforts in the use of Fourier-transform and Raman microspectroscopy techniques for characterizing such radiation-induced effects on SH-SY5Y cells by examining the contributions from different cell components (DNA, proteins, lipids, and carbohydrates) to the vibrational spectra. In this review, we aim at revising and comparing the main results of our studies to provide a wide outlook of the latest outcomes and a framework for future radiobiology research using vibrational spectroscopies. A short description of our experimental approaches and data analysis procedures is also reported.

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