Elemental Profiles Research Articles

Evaluation of the Content of Micro- and Macroelements in Raspberries Depending on the Species, Cultivar Variety, and Geographical Environment.

The study aimed to analyse the macro- and micro-nutrient content in fruits of Rubus species (R. idaeus, R. occidentalis, R. chamaemorus, and R. chingii) and their varieties or hybrids from different regions. Flame atomic absorption spectrometry with deuterium background correction was used to measure concentrations of nine essential elements (K, Mg, Ca, Na, Mn, Fe, Cr, Zn, and Cu) and two heavy metals (Pb, Cd). Chemometric analysis compared the elemental profiles. Results confirmed raspberries as a rich source of macroelements (K, Mg) and microelements (Zn, Cu, Mn, Cr). The 'Bristol' cultivar consistently had the highest Fe content regardless of origin. Cr presence was observed in black raspberries for the first time. Previously observed relationships like K-Na antagonism and Cr/Zn, Fe/Zn synergism were found in raspberry fruits. Factor and cluster analyses demonstrated species and geographical diversity among Polish raspberry samples and clear separation of R. chingii from China. Raspberry fruits, due to the rich complex of polyphenols, are classified as superfoods, and the content of bioelements determined in them guarantees coverage of the daily requirement for macro- and microelements (RDA depending on the element: 5.6-204% for R. idaeus, 8.8-469, 4% for R. occidentalis, and 1.4-67.2% for R. chamaemorus), finally confirming this opinion.

Slightly Off-Axis Digital Holography Using a Transmission Grating and GPU-Accelerated Parallel Phase Reconstruction

Slightly off-axis digital holography is proposed using transmission grating to obtain quantitative phase distribution. The experimental device is based on an improved 4f optical system in which a two-window input plane is used to form the object beam and reference beam. Then, the two beams are diffracted into multiple orders by the transmission grating placed at the Fourier plane. By applying a modified Michelson configuration, the interference patterns can be generated by the object and reference beams from different diffraction orders. After translating the grating, a random phase shift can be introduced to the hologram. To demonstrate the feasibility of our method, both thick and thin phase specimens are retrieved using two carrier phase-shifting holograms. Furthermore, we use the phase reconstruction algorithm based on the NVIDIA CUDA programming model to reduce the retrieval time. Meanwhile, we optimize the discrete cosine transform (DCT)-based least-squares unwrapping algorithm to unwrap the phase. By porting the entire phase reconstruction process to the graphics processing unit (GPU), the phase retrieval acceleration and execution efficiency significantly improve. To demonstrate the feasibility of our method, it is found that our method can measure the surface profiles of standard elements, such as a plano-convex cylinder lens and a microlens array, with a relative error of about 0.5%. For holograms with a different phase shift, the root-mean-square (RMS) value of the phase difference for the main imaging region is about 0.2 rad. By accelerating the phase reconstruction with GPU implementation, a speedup ratio of about 20× for the thick phase specimen and a speedup ratio of about 15× for the thin-phase specimen can be obtained for holograms with a pixel size of 1024 × 1024.

Mechanism of Electrochemical Oxidation of Titanium Via Isotopic Labeling, Medium Energy Ion Scattering, Nuclear Reaction Profiling, in-Situ Rutherford Backscattering Spectrometry, and Electrochemical Impedance Spectroscopy

The few nanometres of titanium oxide present on titanium and Ti alloy surfaces are responsible for protecting the underlying metal from oxidation and enabling its use in many high-performance applications. The oxide provides a hard, uniform, and thermodynamically stable protective coating on an otherwise soft and very reactive metal. Because of its passivating oxide film, titanium has found uses in biomedical implants, aerospace engineering, corrosive industrial piping, and other areas where high strength and low weight are required.Our project is aimed at understanding the atomistic mechanisms of TiO2 formation and growth. We have taken several different approaches to investigate the details of this process. In one approach, the electrochemical oxidation mechanism of titanium at applied potentials between 0 and 10 V vs the saturated calomel reference electrode (SCE) was examined for ultra-thin Ti films sputtered onto Si(001) substrates and exposed in-situ to H2 18O, and then anodized in D2 16O. The effects of this isotopic labeling procedure were studied using medium energy ion scattering (MEIS) and nuclear reaction profiling (NRP). Both MEIS and NRP results are consistent in showing that the titanium oxide layer is composed of two distinct regions (Ti16O2/Ti18O2/Ti/Si) for the entire range of the formation voltages (0–10 V vs SCE). The oxygen component of the outermost region consists entirely of 16O, and the 18O region is always adjacent to the Ti metal. No Ti or 18O loss into the electrolyte solution during anodization was detected. The oxide thickened linearly as a function of potential in the 0–10 V range vs SCE, with experimental anodization ratio of 24.5±0.6 Å V−1. Mott–Schottky (MS) analyses showed positive slopes, indicating formation of an n-type TiO2 semiconductor, with O vacancies (or Ti interstitials) as major charge carriers in the 0–10 V range. Charge carrier densities, ND = (0.8-5.0)×1021 cm−3 were calculated from Mott–Schottky analysis and were well within the range of results reported in the literature. We observed a decrease in the charge carrier densities above ∼4 V vs SCE, that can be connected to defect annihilation or minor modification in the structure (electrostatic annealing) of the growing TiO2 film.In a second approach, we are using Rutherford backscattering spectrometry (RBS) for elemental depth profiling during oxide growth to determine oxidation rates and the role of the anodization potential on the Ti oxide layer structure and morphology. RBS is a powerful ion beam-based analytical tool used to determine thickness at the nanometer scale and elemental depth distribution, making it an excellent choice for studying the thin oxide on titanium. A difficulty with using RBS for such studies has been that RBS must function under ultra-high vacuum, and this has made it incompatible with performing aqueous electrochemistry; therefore, RBS had to be performed as an ex situ analysis, like MEIS and NRP. We are overcoming this limitation by using a specially designed in-situ cell with an ion-permeable silicon nitride window to provide a barrier between the ultra-high vacuum (UHV) required to perform RBS and the aqueous electrolyte solution required for anodization. In this cell, the thin silicon nitride window is coated with titanium and functions as the working electrode when exposed to the aqueous electrolyte solution. RBS measurements are taken as the titanium metal is anodized to titanium oxide. RBS is then performed during in-situ anodization, to obtain information about the growth mechanism of titanium oxide. Our initial in-situ RBS results show a significant increase in the oxidation rate of titanium compared to equivalent ex-situ measurements, and we also observe spontaneous TiO2 film growth without applying an anodic polarization. These effects are likely generated by strongly oxidizing water radiolysis products (e.g., H2O2 or ·OH) formed by the action of high-energy He+ ions interacting with the electrolyte solution.This paper discusses our experimental methods and presents an overview of the results and conclusions of this work.

Principal Component Analysis (PCA) unravels spectral components present in XPS spectra of complex oxide films on iron foil

Principal component analysis (PCA), as applied to the processing of the complex X-ray photoelectron spectroscopy (XPS) lineshapes, is discussed. PCA analysis example is provided of complex native iron oxide films on Fe foil XPS spectra further modified by argon and helium ion beams. Abstract PCA components are derived from Fe 2p, O 1 s and C 1 s regions leading to the assignments of surface (oxy)hydroxide, Fe2O3, FeO and Fe metal, as corroborated by the corresponding elemental quantification profiles. Detailed mathematical concepts behind PCA analysis of spectra data are provided.

The casts of Pompeii: Post-depositional methodological insights.

The casts of Pompeii bear witness to the people who died during the Vesuvius 79 AD eruption. However, studies on the cause of death of these victims have not been conclusive. A previous important step is the understanding of the post-depositional processes and the impact of the plaster in bones, two issues that have not been previously evaluated. Here we report on the anthropological and the first chemical data obtained from the study of six casts from Porta Nola area and one from Terme Suburbane. A non-invasive chemical analysis by portable X-ray fluorescence was employed for the first time on these casts of Pompeii to determine the elemental composition of the bones and the plaster. Elemental profiles were determined providing important data that cross-referenced with anthropological and stratigraphic results, are clearly helpful in the reconstruction of the perimortem and post-mortem events concerning the history of these individuals. The comparative analyses carried out on the bone casts and other collections from burned bones of the necropolis of Porta Nola in Pompeii and Rome Sepolcreto Ostiense, and buried bones from Valencia (Spain), reveal the extent of high temperature alteration and post-depositional plaster contamination. These factors make bioarchaeological analyses difficult but still allow us to support asphyxia as the likely cause of death.

XRF analysis searching for fingerprint elemental profile in south-eastern Sicily tomatoes

The implementation of analytical techniques able to certify food quality and origin in a fast and non-destructive way is becoming a widespread need in the agri-food sector. Among the physical non-destructive techniques, X-ray fluorescence (XRF) spectrometry is often used to analyze the elemental composition of biological samples. In this study, X-ray fluorescence (XRF) elemental profiles were measured on tomato samples belonging to different geographical areas in Sicily (Italy). The purpose of this investigation was aiming to establish a protocol for in-situ measurement and analysis able to provide quality assessment and traceability of PGI agri-food products, specifically sustaining health safety and self qualifying bio-chemical signature. In detail, sampling was performed in one of the most tomato productive area of south-eastern Sicily (Pachino district), characterised by a relative higher amount of Organic Carbon and Cation Exchange Capacity, and compared with samples from other growing areas of Sicily, falling in Ragusa province and Mt. Etna region. Experimental data were analyzed in the framework of multivariate analysis by using principal component analysis and further validated by discriminant analysis. The results show the presence of specific elemental signatures associated to several characterizing elements. This methodology establishes the possibility to disentangle a clear fingerprint pattern associated to the geographical origin of an agri-food product.

Electron synergy effect in the PtCo/CNTs bimetallic catalysts for promoting highly selective and stable hydrogenation of crotonaldehyde

Herein, we synthesized PtCo/CNTs, Pt/CNTs, and Co/CNTs nanocatalysts at room temperature by chemical reduction method. The synergistic effect in PtCo/CNTs for crotonaldehyde (CAL) hydrogenation is investigated. The nanostructures, morphologies, electronic property, Pt–Co interaction, surface characteristic and composition of the catalysts are examined by XRD, BET, SEM, XPS, HRTEM, STEM, STEM-EDX elemental maps and line profiles and H2-TPD. It is found that Pt and Co forms PtCo bimetallic nanoparticles in the PtCo/CNTs catalyst and the PtCo bimetallic nanoparticles are coated on multi-walled carbon nanotubes. And PtCo/CNTs achieves 83.5% CAL conversion, 91.3% crotyl alcohol (COL) selectivity, and 647.4 h−1 turnover frequency (TOF) at 60 °C within 2 h under 3 MPa hydrogen, and its catalytic performance remains basically unchanged after five recycles. According to the analysis, the presence of PtCo bimetallic particles lead to electron transferring from Co to Pt (synergy effect), which improves their activation ability of hydrogen and desorption of CC in COL and thus enhances its selectivity to COL.

The use of rare earth element profiles as a proxy for a fractionation source and mine-waste provenance

Rare earth elements (REEs) have been determined in acid mine drainage samples from the Wiśniówka area, south-central Poland. Two benchmark acid pit ponds, i.e., Podwiśniówka (PwIIb) and Wiśniówka Duża (WD), have shown diverse contents of sulfates, phosphates, REEs and metal(loid)s. Moreover, these ponds exhibit different NASC-normalized REE concentration patterns: (i) a positive middle REE anomaly in PwIIb and (ii) a positive heavy REE anomaly in WD, regardless of sampling time. This MREE anomaly has also been highlighted in a small tailings pile pool showing high contents of metal(loid)s, including As (3.86 g/L) and REEs (90.1 mg/L). In contrast, the light REE (LaEu)-rich profiles are recorded in all Upper Cambrian rock series of the study area. However, the Pw geologic section is distinctly enriched in pyrite, goethite/hematite and carbonaceous clayey-silty shales compared to its WD counterpart that contains a lesser amount of these components, but many more quartzite/sandstone beds. The Pw mineral-lithologic pattern favors selective partitioning of heavy REEs to abundant Fe- and Al-oxyhydroxides and organic matter. Both very short solute transport from sheer rock faces to pit ponds and a low pH of acid waters (mean of 2.3 to 3.0) indicate that scavenging/adsorption and mineral co-precipitation of REEs in a water column may be negligible. This inference is also backed up by overlapping REE profiles at different depths of acid pit ponds. Taken together, this implies that preferential fractionation of REEs takes place primarily during on-site weathering of pyrite and REE-bearing minerals in different rock media thus leading to changes in the Pw- and WD shale-normalized REE concentration patterns at source. The characteristic Pw roof-shaped (convex-up) profile in water samples has been used as a proxy for tracing the most detrimental Podwiśniówka As-bearing mine-waste that were scattered within the mining area a couple of years ago.

Comparative resistome, mobilome, and microbial composition of retail chicken originated from conventional, organic, and antibiotic-free production systems

The aim of this study was to investigate the microbial composition, and the profiles of antimicrobial resistance genes (ARGs, resistome) and mobile genetic elements (mobilome) of retail chicken carcasses originated from conventional intensive production systems (CO), certified antimicrobial-free intensive production systems (AF), and certified organic production systems with restricted antimicrobial use (OR). DNA samples were collected from 72 chicken carcasses according to a cross-sectional study design. Shot-gun metagenomics was performed by means of Illumina high throughput DNA sequencing followed by downstream bioinformatic analyses. Gammaproteobacteria was the most abundant bacterial class in all groups. Although CO, AF, and OR did not differ in terms of alpha- and beta-microbial diversity, the abundance of some taxa differed significantly across the groups, including spoilage-associated organisms such as Pseudomonas and Acinetobacter. The co-resistome comprised 29 ARGs shared by CO, AF and OR, including genes conferring resistance to beta-lactams (blaACT-8, 10, 13, 29; blaOXA-212;blaOXA-275 and ompA), aminoglycosides (aph(3')-IIIa, VI, VIa and spd), tetracyclines (tet KL (W/N/W and M), lincosamides (inu A,C) and fosfomycin (fosA). ARGs were significantly less abundant (P < 0.05) in chicken carcasses from AF and OR compared with CO. Regarding mobile genetic elements (MGEs), transposases accounted for 97.2% of the mapped genes. A higher abundance (P=0.037) of MGEs was found in CO compared to OR. There were no significant differences in ARGs or MGEs diversity among groups according to the Simpson´s index. In summary, retail frozen chicken carcasses from AF and OR systems show similar ARGs, MGEs and microbiota profiles compared with CO, even though the abundance of ARGs and MGEs was higher in chicken carcasses from CO, probably due to a higher selective pressure.

Chemical element distribution in Arctic soils: Assessing vertical, spatial, animal and anthropogenic influences in Elsa and Ebba Valleys, Spitsbergen, Svalbard

The Arctic region is threatened by climate change and pollution caused by human activities which potentially influence the elemental concentrations available to and from the biota. To better understand this delicate balance, it is crucial to investigate the role of several factors. Therefore, we quantified the level of 43 chemical elements in soils from Elsa and Ebba Valleys, Petunia Bay, Spitsbergen, a region that has experienced lasting environmental impacts from historical mining activities. We evaluated the a) vertical sampling influence by examining the variation in element distribution between the soil upper and deeper layers, b) animal influence by verifying the role of native animals, particularly vertebrates, in introducing thought faeces elements to the soil and c) anthropogenic influence by studying the spatial geographical differences in element distribution based on the degree of human pressure between the valleys. Our analysis also includes data on soil organic matter (SOM) and mineral composition. Both valleys exhibited similar mineralogical composition, but Elsa Valley had higher concentrations of most analyzed elements compared to Ebba Valley. Despite the contribution of vertebrate feaces, no increase in element concentrations was observed in the animal-influenced soils. The sampled soil layers had similar chemical element profiles for most elements. SOM content tended to be higher in superficial soils and showed a strong positive correlation with most quantified elements. The higher concentrations in Elsa Valley reflect its past mining and mineral exploration, making this area more significantly impacted than Ebba Valley. Surprisingly, vertebrate animals do not appear to influence the concentrations of chemical elements or organic matter in soils. Our findings provide valuable insights into the legacy of past mining activities and mechanisms driving environmental change in the Arctic.

Size-fractionated ambient particulate matter induce toxicity: Oxidative potential, cytotoxic effect and inflammatory potential

Present study highlighted the importance of examining the toxicological profile of size-segregated particulate matter (PM) bound metals (Fe, Mn, Ni, Pb, Zn, Cu, Cr, Co, Cd) at urban site of Pune city, India. The total aerosol mass was composed of 61.2% and 38% fine and coarse particles, respectively with maximum distribution observed in 4.7–2.1 μm size mode. Elemental size distributions indicated the prime association of Fe, Mn and Zn with coarse sized PM, while remaining metals were predominantly associated with fine PM. Seasonal mass and elemental distribution profile of size-resolved PM was characterized with maximum concentration found in winter season. Enrichment factor analysis revealed the contribution of anthropogenic emissions to Co and Ni in fine mode while less enriched metals, Fe and Mn were allied with crustal and natural sources. Oxidative potential of particles in terms of Dithiothreitol (DTT) loss was found to be maximum in the size range of 4.7–1.1 μm with dominant contribution of PM bound metals (Fe, Cu, Cr, Mn, Ni, Pb, and Zn). On exposure to PM samples, prominent enhancement in the expression of cytokines (especially TNFα) as compared to the control has confirmed their inflammatory nature. Incubation of A549 cells with PM suspension (75 mg/ml) caused pronounced reduction (p < 0.01) in cell viability with significant morphological changes, associated with cell death. Respiratory deposition doses of PM in head region were found to be more impacted by coarse sized particles while contribution of fine PM was dominant in alveolar and tracheobronchial region, signifying serious health risks to the exposed population. In addition to the basic knowledge of toxicity mechanisms associated with size fractionated PM, these results together with the analysis of correlation between PM bound metals and biological assays will be relevant to better characterize the potential health risks and possible future mitigation strategies.

Use of elemental profiles determined by energy-dispersive X-ray fluorescence and multivariate analyses to detect adulteration in Ceylon cinnamon.

The price of Cinnamomum verum (Ceylon cinnamon) is around twice as high as that of the other cinnamon varieties commonly grouped under the name cassia cinnamon, making the former spice an attractive target for fraudsters. This work demonstrates that elemental profiles obtained by energy-dispersive X-ray fluorescence in combination with multivariate analyses can be used as a screening method to detect Ceylon cinnamon adulteration. Thirty-six elements were analysed in 52 commercially available cinnamon samples, 29 Ceylon, 8 cassia, and 15 for which no indication about variety was provided. Fifty-eight percent of the samples were either adulterated or did not meet international quality criteria. Four of the ground cinnamon samples labelled as Ceylon cinnamon were found to be pure cassia or a mixture with a high cassia content, and 26 samples were suspected of other types of adulteration including replacement of bark with other parts of the cinnamon tree. Headspace gas chromatography-mass spectrometry and ash determination by thermogravimetric analysis confirmed the conclusions reached by elemental analysis. Only one sample labelled as Ceylon cinnamon and that according to its volatile composition was cassia cinnamon was not flagged as suspicious by elemental analysis.

Geochemistry of Weathering Cover and the Main Influencing Factors in Karst Area of Guilin, Southwest China

The chemical weathering of carbonate rocks is the main form of interaction between earth spheres in the karst critical zone. The karst weathering cover, which is composed by residua from carbonate rocks weathering, contains important information about the climate environment and material cycle. We present the chemical composition of weathering covers in karst area of Guilin, Guangxi province, analyze their weathering process and strength, and compare them with the other weathering covers in other karst area in China, including Yunnan, Guizhou, Hunan, and Qinghai Tibet Plateau. The results showed: (1) the chemical composition of Guilin weathering covers were similar to that of carbonate weathering covers in other areas of China, and had the common characteristics of uniform distribution of chemical composition in the profile and obvious enrichment of Fe, Al and trace elements. During the formation of carbonate weathering cover and the residua, the rapid dissolution of Ca and Mg had an important impact on the migration and enrichment of other elements. (2) The chemical index of alteration (CIA) of carbonate weathering covers in Guilin and other karst areas of China was much larger than that in the upper crust (UCC) (60.13), which showed strong chemical weathering characteristics of the humid and hot climate. (3) The weathering process of carbonate rock was different from that of silicate and loess. In the early stage of carbonate rock weathering, soluble components (calcite and dolomite) had been rapidly dissolved and leached. All the carbonate weathering residua was measured to be in the stage of K2O weathering and Al2O3 increasing. Therefore, the weathering degree of carbonate weathering cover was mainly determined by the leaching of K2O and the increase of Al2O3. As a result, there was no correlation between CIA and Na/K (molar ratio), but was a significant negative correlation between CIA and K/Al (molar ratio) in the carbonate weathering cover. (4) The CIA values of weathering residua and carbonate weathering cover in southern China were negatively correlated with latitude, reflecting the influence of climate factors. From the influence of lithology, the chemical compositions of parent rock can affect the CIA of weathering cover, and the content of insoluble matter in carbonate rock was negatively correlated with CIA. From the influence of topography, the CIA value of weathering residua decreased from the high to the low position and from the shallow to the deep part of the profile.

Abstract A027: DNA methylation-based fetal niche and repetitive element profiling predict overall survival in clear cell renal cell carcinoma

Abstract Background: Fetal cell origin DNA methylation signature (FCO) estimates the proportion of cells in a mixture of cell types that are of fetal origin. Machine learning-based methods can predict DNA methylation of locus-specific repetitive elements (RE) by learning surrounding genetic and epigenetic information. In this study, we applied the FCO signature and RE methylation prediction to clear cell renal cell carcinoma (ccRCC) samples to study FCO and RE alterations in ccRCC carcinogenesis and survival. Methods: The FCO algorithm was applied to 47 ccRCC tumor samples and four adjacent normal samples from the Dartmouth Renal Tumor Biobank. 319 ccRCC tumor samples and 160 adjacent normal samples from The Cancer Genome Atlas (TCGA) were used for external validation. Linear regression models were used to compare the FCO signal between ccRCC tumor and normal samples adjusting for sex and age. Cox proportional hazard models were employed to study FCO with overall survival outcome in ccRCC samples, adjusting for sex, age, and tumor stage. The survival groups were dichotomized to FCO = 0% vs. FCO &amp;gt; 0%. The REMP package from Bioconductor was used to project LINE1 element methylation in 47 ccRCC samples. LINE1 median level methylation was compared by tumor grade. Cox proportional hazard models were employed to study LINE1 methylation level as a continuous variable with overall survival in ccRCC samples, adjusting for sex, age, and tumor stage. Results: The FCO signal is significantly lower in Dartmouth Renal Tumor Biobank archived ccRCC tumor samples compared to adjacent normal samples (Δ = 42.9%, p = 5.7e-11). By comparing the overall survival between FCO = 0% and FCO &amp;gt; 0% groups, we observed significantly worse survival outcomes in ccRCC patients with zero levels of FCO (HR: 2.46, 95% CI: 1.16, 5.18). Similar results were observed in TCGA samples. A significant decrease of FCO was found in ccRCC tumor samples compared to adjacent normal samples (Δ = 32.9%, p = 2.2e-308). A 1% increase in FCO is significantly associated with a better survival outcome (HR: 0.97, 95%CI 0.95, 0.99). For RE methylation prediction, we observed that the median LINE1 methylation level decreases with ccRCC tumor grade. A higher level of LINE1 median methylation is significantly associated with a better survival outcome (p = 0.01). Conclusion: Normal kidney samples possess a fetal niche reflected by DNA methylation, while ccRCC tumorigenesis depletes the fetal cells in normal kidneys. The depletion of FCO is associated with worse survival outcomes in ccRCC. The repetitive element LINE1 methylation level decreases with tumor grade and is related to ccRCC survival outcomes. These findings promise future investigations on the epigenetically targetable fetal niche and repetitive elements in ccRCC carcinogenesis and therapeutics. Citation Format: Ze Zhang, Lucas Salas. DNA methylation-based fetal niche and repetitive element profiling predict overall survival in clear cell renal cell carcinoma [abstract]. In: Proceedings of the AACR Special Conference: Advances in Kidney Cancer Research; 2023 Jun 24-27; Austin, Texas. Philadelphia (PA): AACR; Cancer Res 2023;83(16 Suppl):Abstract nr A027.

Theoretical Health Risk Assessment Based on Potentially Toxic Element Profiling of Cosmetic Products in Istanbul Street Bazaars.

Toxic elements that pose a potential threat to human health are found as impurities in various cosmetic products. In this study, the inorganic profile of 19 elements (Li, B, Mg, Al, Cr, Mn, Co, Ni, Cu, Zn, As, Se, Sr, Mo, Cd, Sb, Ba, Hg, and Pb) in 90 cosmetic products (lipsticks, lip glosses, lip pencils and eye shadows) were detected by inductively coupled plasma-mass spectrometry after microwave acid digestion method and hazard indices (HI) of 9 toxic elements (Pb, Cd, Cr, Ni, Co, As, Hg, Sb, and Al) were calculated for the assessment of theoretical health risk. Satisfactory method performance parameters were found for each analyte. The results were compared with the maximum permissible limits set by regulatory agencies; 38 of 41 lip products (92.68%) and all eye shadows (n = 49) exceeded the established limits. The HI was found to be ≥ 1 in 82.76% of lip products for oral exposure, whereas HI was ≤ 1 for dermal exposure in all lip products (n = 41) and only one eye shadow sample was ≥ 1 (2.04%). Remarkable results were also detected for 19 elements in this study, which conducted a comprehensive inorganic profiling for the first time. Wide-range concentrations of Mg, Al, Ba, Mn, Cu, Zn, and Sr elements were remarkable. HI values were firstly brought out in this study, although Al, as a well-known toxic element, has not been listed in regulations yet. In conclusion, it is obviously seen that continuous monitoring of cosmetics is crucial not only for toxic elements but also for other essential or non-toxic elements to prevent consumers from long-term exposure.

Pollution profile, source identification, and risk assessments of persistent organic pollutants (POPs) and toxic elements in the sediments of one of the water supply areas (Sultanbahçedere lake) to Istanbul, Türkiye

This study was done to comprehensively exhibit the pollution level of surface sediments taken from Sultanbahçedere dam lake in terms of some persistent organic pollutants (POPs) and toxic elements, to decide the possible sources of polycyclic aromatic hydrocarbons (PAHs), to perform the ecological and human health risk assessments, and to evaluate the pollution profile with the hierarchically clustered heatmap (HCHM) analysis and principal component analysis (PCA). Naphthalene, Benzo(b)fluoranthene, Fluoranthene, Pyrene for PAHs; p,p-DDE, p,p-DDD, alpha-HCH, p,p-DDT, Endrin for OCPs; hexa and hepta chlorinated congeners accounting for 50.63% and 28.44% for polychlorinated biphenyls (PCBs); 1234678-HpCDD, OCDD for polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs); PCB 118, PCB 105, PCB 167 for dioxin like-PCBs (DL-PCBs) and Al, Fe, Ca for elements were predominant in almost all of the sediments with a few exceptions. S4 site, which is one of the mid-sites of reservoir, has high concentrations in most of these pollutants. According to PAH diagnostic analysis, PAHs in the surface sediments are mostly affected by pyrogenic sources. The concentrations of POPs do not pose any toxic risk to aquatic organisms according to sediment quality guideline (SQG) and the limit values of other countries accepted in the world. Also, since none of the elements exceeded the effect range median (ERM) values, they do not pose a significant toxic risk to aquatic organisms. There is no risk for non-carcinogenic and carcinogenic hazards both for children and for adults considering hazard quotient (HQ), hazard index (HI), and lifetime cancer risk (LCR) values of all pollutants.

Investigation of interdiffusion in thin films of ZnO/ZnCdO grown by molecular beam epitaxy

Rutherford backscattering spectrometry (RBS) was used to determine the composition, uniformity, impurity, and elemental depth profiles of Zn, Cd, and O in ZnCdO/ZnO thin film deposited on differently oriented Al2O3 substrates using molecular beam epitaxy technique. For the films deposited under the same condition, it was observed that the variation of Zn/Cd/O ratios is dependent on substrate orientation and highly depends on the growth parameters. The composition and thickness variation, in relationship with two different substrates orientations, were explored with RBS, scanning electron microscopy, and photoluminescence measurements. It was found that ZnCdO films deposited on r- oriented ZnO buffers exhibit much less surface roughness and intermixing after the rapid thermal processing annealing is less extensive.

Boosting the catalysis of gold supported on perovskites by strong metal-support interaction

Gold catalysts show excellent selectivity in chemoselective hydrogenation reactions. However, their reactivity and stability are relatively inferior to Pt-group metal catalysts due to the moderate hydrogen activation and carbonaceous deposits. Herein, we reported that the strong metal-support interaction (SMSI) between gold nanoparticles and perovskites can increase the catalytic performance of gold-based catalysts in 3-nitrostyrene chemoselective hydrogenation reaction. HAADF-STEM elemental mapping images and line scan profiles confirmed that the oxide support can partially cover the surface of gold NPs, increasing the interfacial area between gold NPs and perovskites support. H2-D2 exchange reaction, reaction kinetic analysis and density functional theory calculations revealed that the apparent activation energy of 3-NS chemoselective hydrogenation reaction over gold supported on perovskites with SMSI effect was significantly decreased by the more facile H2 dissociation, 3-NS and its’ intermediate activation at the increased interface. This discovery of SMSI effect in Au and perovskites offers new insights into tuning performance of gold-based catalysts via changing the types of metal ions in perovskites.

Изучение особенностей элементного профиля вин Бахчисарайского района Республики Крым

Методы подтверждения подлинности географического места происхождения вина включают в себя анализ «отпечатков пальцев», полученных с использованием инструментальных и статистических методов анализа. На сегодняшний день в международной практике широкое распространение получили исследования, направленные на изучение элементного профиля вина с целью идентификации места произрастания винограда. Однако исследователи, как правило, проводят классификацию образцов вин на основе элементного профиля без учета технологических особенностей производства, в процессе которого возможно некоторое его изменение за счет использования вспомогательных средств и различного оборудования. В статье приводятся результаты сравнительного исследования элементного профиля вин, выработанных в лабораторных и производственных условиях в рамках одного винодельческого хозяйства, расположенного в Бахчисарайском районе Республики Крым. Установлено, что выборки образцов, полученных в лабораторных и производственных условиях, статистически значимо отличаются по значениям массовых концентраций следующих элементов: Al, Si, P, Ca, Ti, Cr, Fe, Cu, Zn, Br, Y, Mo, Sb, Ba, Pr, Sm, Gd, Dy, Er, Yb, Tl, Th, Be, Mg, S, K, Ni, Sr, Ag, Cs, Re, Pt, Au, Bi, U, Na, V, Mn, La, Nd, Eu, Tb, Ho, Tm, Lu, Pb. Из них элементы Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Ti, V, Cr, Th, La, Y и Nb были обнаружены в производственных образцах, но не были обнаружены в лабораторных. Наиболее значимые статистические различия установлены для значений концентраций хрома, молибдена, иттербия и тория. Средняя массовая концентрация иттербия и тория в производственных образцах составила 0,35 мкг/дм3и 0,27 мкг/дм3 соответственно. Также было установлено, что красные вина, выработанные в производственных условиях, характеризуются бÓльшим содержанием элементов Na, Mg, Mn, Si, Br, Rb, Sr, чем белые. Выявленные тенденции изменений качественного и количественного состава макро-, микро- и редкоземельных металлов в вине в зависимости от условий выработки имеют важное значение, так как учет данных факторов при проведении кластеризации образцов вин в зависимости от места их географического происхождения позволит увеличить точность математической модели. Methods of confirming the authenticity of the geographical place of origin of wine include the analysis of «fingerprints» obtained using instrumental and statistical methods of analysis. To date, research aimed at studying the elemental profile of wine in order to identify the place of grape growth has become widespread in international practice. However, researchers, as a rule, classify wine samples based on the elemental profile without taking into account the technological features of production, during which some of its changes are possible due to the use of auxiliary means and various equipment. The article presents the results of a comparative study of the elemental profile of wines produced in laboratory and in production conditions within the same winery. It was found that samples obtained in laboratory and production conditions statistically significantly differ in the values of mass concentrations of the following elements: Al, Si, P, Ca, Ti, Cr, Fe, Cu, Zn, Br, Y, Mo, Sb, Ba, Pr, Sm, Gd, Dy, Er, Yb, Tl, Th, Be, Mg, S, K, Ni, Sr, Ag, Cs, Re, Pt, Au, Bi, U, Na, V, Mn, La, Nd, Eu, Tb, Ho, Tm, Lu, Pb. Of these elements Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Ti, V, Cr, Th, La, Y and Nb were detected in production samples, but were not detected in the laboratory. The most significant statistical differences were found for the concentrations of chromium, molybdenum, ytterbium and thorium. The average mass concentration of ytterbium and thorium in the production samples was 0.35 mkg/dm3 and 0.27 mkg/dm3, respectively. It was also found that red wines produced under production conditions are characterized by a higher content of elements Na, Mg, Mn, Si, Br, Rb, Sr than white ones. The revealed trends of changes in the qualitative and quantitative composition of macro-, micro- and rare earth metals in wine, depending on the production conditions, are important, since taking into account these factors when clustering wine samples, depending on their geographical origin, can increase the accuracy of the mathematical model.

Salvia multicaulis for biosynthesis of antioxidant CuO/SiO2 NCs and assessment of its phytochemical profile

The phytochemical and elemental profile of Salvia multicaulis plant is evaluated for bio-fabrication of [email protected]2 nanocomposite (NCs). The antioxidant activity of plant extract and NCs were also determined using 1,1-diphenyl-2-picrylhydrazyl (DPPH) method. Also, the phytochemical examination of the plant shows some biomolecules such as terpenes, flavonols, keto-enol compounds, aldehydes, proteins, vitamins, nitrogen-containing compounds, alkaloids, and tannins. According to our findings, high phenolic content (438 mg GAE/g dry wt) and flavonoid (252.16 mg QE/g dry wt) in Salvia multicaulis extract exhibited maximum inhibition of DPPH radicals (47.74%, 97.05% and 114.8 % in 50, 800 and 3200 µg/ml), respectively, demonstrating the pontent antioxidants activity due to plant’s phytoconstituent antioxidants.