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1.
Environ Int ; 190: 108849, 2024 Jun 22.
Artigo em Inglês | MEDLINE | ID: mdl-38963987

RESUMO

BACKGROUND: Between 52-86% of people who menstruate in the United States use tampons-cotton and/or rayon/viscose 'plugs'-to absorb menstrual blood in the vagina. Tampons may contain metals from agricultural or manufacturing processes, which could be absorbed by the vagina's highly absorptive tissue, resulting in systemic exposure. To our knowledge, no previous studies have measured metals in tampons. OBJECTIVES: We evaluated the concentrations of 16 metal(loid)s in 30 tampons from 14 tampon brands and 18 product lines and compared the concentrations by tampon characteristics. METHODS: About 0.2 - 0.3 g from each tampon (n = 60 samples) were microwave-acid digested and analyzed by inductively coupled plasma mass spectrometry (ICP-MS) to determine concentrations of arsenic, barium, calcium, cadmium, cobalt, chromium, copper, iron, manganese, mercury, nickel, lead, selenium, strontium, vanadium, and zinc. We compared concentrations by several tampon characteristics (region of purchase, organic material, brand type) using median quantile mixed models. RESULTS: We found measurable concentrations of all 16 metals assessed. We detected concentrations of several toxic metals, including elevated mean concentrations of lead (geometric mean [GM] = 120 ng/g), cadmium (GM = 6.74 ng/g), and arsenic (GM = 2.56 ng/g). Metal concentrations differed by region of tampon purchase (US versus European Union/United Kingdom), by organic versus non-organic material, and for store- versus name-brand tampons. Most metals differed by organic status; lead concentrations were higher in non-organic tampons while arsenic was higher in organic tampons. No categoriy had consistently lower concentrations of all or most metals. DISCUSSION: Tampon use is a potential source of metal exposure. We detected all 16 metals in at least one sampled tampon, including some toxic metals like lead that has no "safe" exposure level. Future research is needed to replicate our findings and determine whether metals can leach out of tampons and cross the vaginal epithelium into systemic circulation.

2.
J Environ Radioact ; 278: 107492, 2024 Jul 03.
Artigo em Inglês | MEDLINE | ID: mdl-38964006

RESUMO

Caesium-137 (137Cs) is a major anthropogenic radionuclide released into the environment as a result of the TEPCO Fukushima Daiichi Nuclear Reactor Station accident (occurring on March 11, 2011). Rice, being a staple food in Asian countries, including Japan, and is predominantly cultivated in paddy fields. Consequently, 137Cs present in rice is absorbed from both soil and irrigation water, making it the most important crop for estimating internal radiation doses. In this study, over the 2018-2022 cultivation periods, flood water and pore water samples were collected biweekly from paddy fields. These samples were analyzed to measure the 137Cs activity concentration, as well as the potassium (K+) and ammonium (NH4+) concentrations. Under anaerobic conditions, the 137Cs + activity concentration in pore water increased markedly to reach a value 20-fold higher than that in flood water, correlating with NH4+ concentration. However, despite the release of 137Cs + caused by increased NH4+ concentrations in pore water due to reduction processes, the 137Cs+/K+ ratio did not increase, which was attributed to the simultaneous release of K+. The competition between 137Cs+ and K+ uptake by plants indicates that rice uptake of 137Cs is not necessarily enhanced during the waterlogging period.

3.
Food Chem ; 458: 140218, 2024 Jun 25.
Artigo em Inglês | MEDLINE | ID: mdl-38964104

RESUMO

Carthamus tinctorius L. (Safflower) is extensively used as a functional food and herbal medicine, with its application closely associated with hydroxysafflor yellow A (HSYA). However, the low oral bioavailability of HSYA in safflower extract (SFE) limits its health benefits and application. Our study found that co-administration of 250, 330, and 400 mg/kg peach kernel oil (PKO) increased the oral bioavailability of HSYA in SFE by 1.99-, 2.11-, and 2.49-fold, respectively. The enhanced bioavailability is attributed to improved lipid solubility and intestinal permeability of HSYA in SFE due to PKO. PKO is believed to modify membrane fluidity and tight junctions, increase paracellular penetration, and inhibit the expression and function of P-glycoprotein, enhancing the transcellular transport of substrates. These mechanisms suggest that PKO is an effective absorption enhancer. Our findings provide valuable insights for developing functional foods with improved bioavailability.

4.
Artigo em Inglês | MEDLINE | ID: mdl-38965714

RESUMO

Covalent organic framework (COF) aerogels with functional groups offer exceptional processability and functionality for various applications. These hierarchical porous materials combine the advantages of COFs with the benefits of aerogels, overcoming the limitations of conventional insoluble and nonfusible COF powders. However, achieving both high crystallinity and shape retention remains a challenge for functionalized COF aerogels. In this work, we develop a novel and general solvent substitution method for the one-step synthesis of formyl-functionalized COF aerogels without harsh vacuum conditions. These aerogels exhibit excellent processing capabilities, superior mechanical strength, and enhanced functionality. As a proof-of-concept, they were used in adsorption and lithium metal battery applications, significantly maximizing the structural advantages of COFs, e.g.: (i) the hierarchical porous structure is fully wetted by the electrolyte to form continuous transport channels; (ii) the polar groups, which are easier to be acquired, help in desolvation and transfer of Li+; (iii) the regular pore structures stabilize deposition of Li+ and inhibit the growth of lithium dendrites. These combined benefits contribute to a lighter battery with improved energy density and enhanced safety.

5.
Chem Biol Drug Des ; 104(1): e14576, 2024 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-38969623

RESUMO

Intestinal absorption of compounds is significant in drug research and development. To evaluate this efficiently, a method combining mathematical modeling and molecular simulation was proposed, from the perspective of molecular structure. Based on the quantitative structure-property relationship study, the model between molecular structure and their apparent permeability coefficients was successfully constructed and verified, predicting intestinal absorption of drugs and interpreting decisive structural factors, such as AlogP98, Hydrogen bond donor and Ellipsoidal volume. The molecules with strong lipophilicity, less hydrogen bond donors and receptors, and small molecular volume are more easily absorbed. Then, the molecular dynamics simulation and molecular docking were utilized to study the mechanism of differences in intestinal absorption of drugs and investigate the role of molecular structure. Results indicated that molecules with strong lipophilicity and small volume interacted with the membrane at a lower energy and were easier to penetrate the membrane. Likewise, they had weaker interaction with P-glycoprotein and were easier to escape from it and harder to export from the body. More in, less out, is the main reason these molecules absorb well.


Assuntos
Ligação de Hidrogênio , Absorção Intestinal , Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular , Relação Quantitativa Estrutura-Atividade , Humanos , Estrutura Molecular , Preparações Farmacêuticas/metabolismo , Preparações Farmacêuticas/química , Membro 1 da Subfamília B de Cassetes de Ligação de ATP/metabolismo , Membro 1 da Subfamília B de Cassetes de Ligação de ATP/química , Interações Hidrofóbicas e Hidrofílicas , Permeabilidade
6.
Small ; : e2403903, 2024 Jul 02.
Artigo em Inglês | MEDLINE | ID: mdl-38953301

RESUMO

Asymmetric electronic environments based on microscopic-scale perspective have injected infinite vitality in understanding the intrinsic mechanism of polarization loss for electromagnetic (EM) wave absorption, but still exists a significant challenge. Herein, Zn single-atoms (SAs), structural defects, and Co nanoclusters are simultaneously implanted into bimetallic metal-organic framework derivatives via the two-step dual coordination-pyrolysis process. Theoretical simulations and experimental results reveal that the electronic coupling interactions between Zn SAs and structural defects delocalize the symmetric electronic environments and generate additional dipole polarization without sacrificing conduction loss owing to the compensation of carbon nanotubes. Moreover, Co nanoclusters with large nanocurvatures induce a strong interfacial electric field, activate the superiority of heterointerfaces and promote interfacial polarization. Benefiting from the aforementioned merits, the resultant derivatives deliver an optimal reflection loss of -58.9 dB and the effective absorption bandwidth is 5.2 GHz. These findings provide an innovative insight into clarifying the microscopic loss mechanism from the asymmetric electron environments viewpoint and inspire the generalized electronic modulation engineering in optimizing EM wave absorption.

7.
Adv Sci (Weinh) ; : e2403366, 2024 Jul 02.
Artigo em Inglês | MEDLINE | ID: mdl-38953394

RESUMO

Bubbles and foams are often removed via chemical defoamers and/or mechanical agitation. Designing surfaces that promote chemical-free and energy-passive bubble capture is desirable for numerous industrial processes, including mineral flotation, wastewater treatment, and electrolysis. When immersed, super-liquid-repellent surfaces form plastrons, which are textured solid topographies with interconnected gas domains. Plastrons exhibit the remarkable ability of capturing bubbles through coalescence. However, the two-step mechanics of plastron-induced bubble coalescence, namely, rupture (initiation and location) and subsequent absorption (propagation and drainage) are not well understood. Here, the influence of 1) topographical feature size and 2) gas fraction on bubble capture dynamics is investigated. Smaller feature sizes accelerate rupture while larger gas fractions markedly improve absorption. Rupture is initiated solely on solid domains and is more probable near the edges of solid features. Yet, rupture time becomes longer as solid fraction increases. This counterintuitive behavior represents unexpected complexities. Upon rupture, the bubble's moving liquid-solid contact line influences its absorption rate and equilibrium state. These findings show the importance of rationally minimizing surface feature sizes and contact line interactions for rapid bubble rupture and absorption. This work provides key design principles for plastron-induced bubble coalescence, inspiring future development of industrially-relevant surfaces for underwater bubble capture.

8.
Spectrochim Acta A Mol Biomol Spectrosc ; 321: 124746, 2024 Jun 27.
Artigo em Inglês | MEDLINE | ID: mdl-38955065

RESUMO

Organic materials have several important characteristics that make them suitable for use in optoelectronics and optical signal processing applications. For absorption and emission maxima, the stabilities and photoactivities of conjugated organic chromophores can be tailored by selecting a suitable parent structure and incorporating substituents that predictably change the optical characteristics. However, a high-throughput design of efficient conjugated organic chromophores without using trial-and-error experimental approaches is required. In this study, machine learning (ML) is used to design and test the conjugated organic chromophores and predict light absorption and emission behavior. Many machine learning models are tried to select the best models for the prediction of absorption and emission maxima. Extreme gradient boosting regressor has appeared as the best model for the prediction of absorption maxima. Random forest regressor stands out as the best model for the prediction of emission maxima. Breaking Retrosynthetically Interesting Chemical Substructures (BRICS) is used to generate 10,000 organic chromophores. Chemical similarity analysis is performed to obtain a deeper understanding of the characteristics and actions of compounds. Furthermore, clustering and heatmap approaches are utilized.

9.
Sci Rep ; 14(1): 15165, 2024 Jul 02.
Artigo em Inglês | MEDLINE | ID: mdl-38956434

RESUMO

This paper aims to study the natural convective magneto-hydrodynamic flow of fluid through vertical concentric annuli with iso-flux heating under the conditions of constant internal heat absorption and an induced magnetic field. By solving the set of dimensionless coupled governing equations, we were able to obtain exact expressions for the temperature field, velocity field, and induced magnetic field. We also managed to derive the formulas for skin friction, mass flux, and induced current density. We also examined the effects of non-dimensional parameters on skin friction and mass flux. For easy comprehension and interpretation, the results are provided graphically and in tabular form. The heat absorption parameter, the induced current density, the induced magnetic field, and velocity exhibit a negative trend as the Hartmann number (Ha) value increases. The induced magnetic field has the effect of raising both the induced current density and velocity profile. It is found that, when a fluid absorbs heat, the heat absorption parameter experiences reverse flow. For the heat-absorbing fluids, the radii ratio has the effect of increasing velocity, induced magnetic field, and induced current density. The numerical values of skin friction and mass flux at cylindrical walls increase (decrease) with increasing heat absorption parameter and generally it has decreasing tendency with increasing Hartmann number.

11.
Small ; : e2404162, 2024 Jul 03.
Artigo em Inglês | MEDLINE | ID: mdl-38958083

RESUMO

The synergistic effect of rare earth single-atoms and transition metal single-atoms may enable us to achieve some unprecedented performance and characteristics. Here, Co-Dy dual-atoms on black phosphorus with a P-Co-Dy charge-transfer bridge are designed and fabricated as the active center for the CO2 photoreduction reaction. The synergistic effect of Co-Dy on the performance of black phosphorus is studied by combining X-ray absorption spectroscopy, ultrafast spectral analysis, and in situ technology with DFT calculations. The results show that the Co and Dy bimetallic active site can promote charge transfer by the charge transfer bridge from P to Dy, and then to Co, thereby improving the photocatalytic activity of black phosphorus. The performance of catalysts excited at different wavelength light indicates that the 4G11/2/2I15/2/4F9/2→6H15/2 and 4F9/2→6H13/2 emissions of Dy can be absorbed by black phosphorus to improve the utilization of sunlight. The in situ DRIFTS and density functional theory (DFT) calculations are used to investigate the CO2 photoreduction pathway. This work provides an depth insight into the mechanism of dual-atom catalysts with enhanced photocatalytic performance, which helps to design novel atomic photocatalysts with excellent activity for CO2 reduction reactions.

12.
Adv Mater ; : e2401559, 2024 Jul 03.
Artigo em Inglês | MEDLINE | ID: mdl-38958107

RESUMO

Label-free proteomics is widely used to identify disease mechanism and potential therapeutic targets. However, deep proteomics with ultratrace clinical specimen remains a major technical challenge due to extensive contact loss during complex sample pretreatment. Here, a hybrid of four boronic acid-rich lanthanide metal-organic frameworks (MOFs) with high protein affinity is introduced to capture proteins in ultratrace samples jointly by nitrogen-boronate complexation, cation-π and ionic interactions. A MOFs Aided Sample Preparation (MASP) workflow that shrinks sample volume and integrates lysis, protein capture, protein digestion and peptide collection steps into a single PCR tube to minimize sample loss caused by non-specific absorption, is proposed further. MASP is validated to quantify ≈1800 proteins in 10 HEK-293T cells. MASP is applied to profile cerebrospinal fluid (CSF) proteome from cerebral stroke and brain damaged patients, and identified ≈3700 proteins in 1 µL CSF. MASP is further demonstrated to detect ≈9600 proteins in as few as 50 µg mouse brain tissues. MASP thus enables deep, scalable, and reproducible proteome on precious clinical samples with low abundant proteins.

13.
Sci Rep ; 14(1): 15033, 2024 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-38951568

RESUMO

The application of terahertz time-domain spectroscopy (THz-TDS) in the quantitative analysis of major minerals in Bayan Obo magnetite ore was explored. The positive correlation between the optical parameters of the original ore and its iron content is confirmed. The detections of three main iron containing minerals, including magnetite, pyrite, and hematite, were simulated using corresponding reagents. The random forest algorithm is used for quantitative analysis, and FeS2 is detected with precision of R2 = 0.7686 and MAE = 0.6307% in ternary mixtures. The experimental results demonstrate that THz-TDS can distinguish specific iron containing minerals and reveal the potential application value of this testing method in exploration and mineral processing fields.

14.
Artigo em Inglês | MEDLINE | ID: mdl-38959083

RESUMO

Aerogel-based composites, renowned for their three-dimensional (3D) network architecture, are gaining increasing attention as lightweight electromagnetic (EM) wave absorbers. However, attaining high reflection loss, broad effective absorption bandwidth (EAB), and ultrathin thickness concurrently presents a formidable challenge, owing to the stringent demands for precise structural regulation and incorporation of magnetic/dielectric multicomponents with synergistic loss mechanisms within the 3D networks. In this study, we successfully synthesized a 3D hierarchical porous Fe3O4/MoS2/rGO/Ti3C2Tx MXene (FMGM) composite aerogel via directional freezing and subsequent heat treatment processes. Owing to their ingenious structure and multicomponent design, the FMGM aerogels, featured with abundant heterogeneous interface structure and magnetic/dielectric synergism, show exceptional impedance matching characteristics and diverse EM wave absorption mechanisms. After optimization, the prepared ultralight (6.4 mg cm-3) FMGM-2 aerogel exhibits outstanding EM wave absorption performance, achieving a minimal reflection loss of -66.92 dB at a thickness of 3.61 mm and an EAB of 6.08 GHz corresponding to the thickness of 2.3 mm, outperforming most of the previously reported aerogel-based absorbing materials. This research presents an effective strategy for fabricating lightweight, ultrathin, highly efficient, and broad band EM wave absorption materials.

15.
Spectrochim Acta A Mol Biomol Spectrosc ; 321: 124757, 2024 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-38959688

RESUMO

With the developing resistance to traditional antiparasitic medications, the purpose of this study was to efficiently develop a series of six noble flavanoidal tetrazinane-6'-one derivatives by a one-pot reaction pathway. FT-IR, 1HNMR, 13CNMR, and Mass spectra were employed for the structural elucidation of the synthesized compounds (7-12). Clinostomum complanatum, a parasite infection model that has been well-established, demonstrated that all the synthesized compounds are potent antiparasitic agents. DNA is the main target for various medicinal compounds. As a result, thestudy of how small molecules attach to DNA has received a lot of attention. In the present study, we have performed various biophysical techniques to determine the mode of binding of synthesized compounds (7-12) with calf thymus DNA (ct-DNA). It was observed from the UV-visible absorbance and fluorescence spectra that all synthesized compounds (7-12) form complexes with the ct-DNA. The value of binding constant (Kb) was obtained to be in the range of 4.36---24.50 × 103 M - 1 at 298 K. Competitive displacement assay with ethidium bromide (EB), CD spectral analysis, viscosity measurements, and in silico molecular docking confirmed that ligands (7-12) incorporate with ct-DNA through groove binding only. Molecular docking studies were performed for all synthesized compounds with the calf thymus DNA and it was found that all the newly synthesized compounds strongly bind with the chain B of DNA in the minor groove with the value of binding energy in the range of -8.54 to -9.04 kcal per mole and several hydrogen bonding interactions.

16.
Int J Biol Macromol ; 275(Pt 2): 133611, 2024 Jul 04.
Artigo em Inglês | MEDLINE | ID: mdl-38969039

RESUMO

In this study, berberine hydrochloride (Ber) was used as model drug to prepare a sustained-release cold sol using hydroxypropyl methyl cellulose (HPMC) to achieve superior drug dissolution and transdermal absorption effects. For comparison, a Ber cold sol without HPMC was also prepared using the same method. The preparation process was optimized based on the in vitro release and transdermal permeability of the drug. The results indicated that 1.67 wt% Carbomer 940 and 1.33 wt% HPMC K100M were selected as matrix components with the best sustained-release effect, and drug dissolution of cold sol prepared by combination of these two matrices was significantly slower than the cold sol without HPMC. In addition, transdermal absorption result demonstrated that 0.67 wt% glycerin and 1.33 wt% peppermint oil were the best osmotic enhancers for the optimization of Ber sustained-release cold sol. Herein, HPMC K100M performed important functions in the external application of Ber.

17.
Int J Biol Macromol ; 275(Pt 2): 133704, 2024 Jul 05.
Artigo em Inglês | MEDLINE | ID: mdl-38972655

RESUMO

To identify the key amino acids (AAs) affecting the allergenicity of hemocyanin (HC) allergens from Chinese mitten crabs, in this study, two epitopes, P1-SHFTGSKSNPEQR and P2-LSPGANTITR were employed and four potential key AAs (P1: F3 and N9 and P2: N6 and R10) were predicted. Mast cell and mouse models revealed that four mutants induced lower levels of immunoglobulin E (IgE) and Th2 type cytokines (15.47-49.89 %), proving that F3, N9, N6, and R10 were the key AAs of two epitopes. Mutants reduce allergic responses via the Th2 pathway. However, the roles of every key AA affecting allergenicity were different (P1-F3 > N9 and P2-N6 > R10). In addition, lower transport and higher efflux were observed in the mutants during transport absorption by Caco-2 cells. The allergenicity of HC was stronger when the transport absorption efficiency of epitopes and mutants was higher and their efflux was lower. Our study provides a novel method for revealing the allergenic molecular mechanisms of food allergens.

18.
Spectrochim Acta A Mol Biomol Spectrosc ; 322: 124684, 2024 Jun 26.
Artigo em Inglês | MEDLINE | ID: mdl-38981290

RESUMO

Human telomeres (HTs) can form DNA G-quadruplex (G4), an attractive target for anticancer and antiviral drugs. HT-G4s exhibit inherent structural polymorphism, posing challenges for understanding their specific recognition by ligands. Here, we aim to explore the impact of different topologies within a small segment of the HT (Tel22) on its interaction with BRACO19, a rationally designed G4 ligand with high quadruplex affinity, already employed in in-vivo treatments. Our multi-technique approach is based on the combined use of a set of contactless spectroscopic tools. Circular dichroism and UV resonance Raman spectroscopy probe ligand-induced conformational changes in the G4 sequence, while UV-visible absorption, coupled with steady-state fluorescence spectroscopy, provides further insights into the electronic features of the complex, exploiting the photoresponsive properties of BRACO19. Overall, we find that modifying the topology of the unbound Tel22 through cations (K+ or Na+), serves as a critical determinant for ligand interactions and binding modes, thus influencing the HT-G4's assembly capabilities. Furthermore, we show how fluorescence serves as a valuable probe for recognizing cation-driven multimeric structures, which may be present in living organisms, giving rise to pathological forms.

19.
Heliyon ; 10(12): e32953, 2024 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-38988531

RESUMO

If absolutely nothing is taken to reduce carbon dioxide (CO2) emissions, atmospheric concentrations of carbon dioxide will rise to 550 parts per million by 2050, which will have disastrous effects on the world's climate and food production. An apparatus has been designed and setup to convert CO2 into a useful and vital product which was silica. The effect of different experimental factors on the compositions by weight percent of SiO2 and Na2CO3 were studied including the CO2 gas flow rate (1.037, 1.648 and 2.26 L/min), initial concentration of sodium silicate (Na2SiO3) solution (5, 7.5 and 10 %wt) and the packing size (15.95, 20.175, and 24.4 mm). An optimization process was performed using the Design Expert software program to achieve the optimum experimental conditions at which the maximum weight percent of SiO2 (main product), the minimum weight percent of (Na2CO3) (side product) and the minimum reaction time were determined. From the optimization process, the maximum weight percent of SiO2 (25.63 %), the minimum weight percent of (Na2CO3) (9.62 %) and the minimum reaction time (7.59 min) were achieved at the following optimum experimental conditions of CO2 gas flow rate = 1.648 L/min, packing size = 24.4 mm and initial concentration of sodium silicate solution = 10 %wt.

20.
Heliyon ; 10(12): e33031, 2024 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-38988540

RESUMO

With the development of the technical trend, concrete using waste alternate material instead of sand material found economic potential for good structural behaviour. Besides, the susceptible crack, low strength-to-weight ratio, and low compressive strength are the reasons for shrinkage. Due to this reason, the investigation aims to limit the shrinkage under live load and increase the compression and flexural strength by the introduction of coconut waste chopped fiber (wCF), waste fly ash (wFA), and carbon nanotube powder (CNT) blended with conventional Portland paste. The developed concrete consists of 5 wt% wCF, 10 wt% wFA, and 0, 5, 10, and 15 wt% of CNT and is subjected to X-ray diffraction analysis, bulk density, compression and flexural strength, and water absorption studies. The X-ray diffraction pattern revealed the wCF, wFA, CNT, and matrix compositions. The concrete developed with 5 wt% wCF, 10 wt% wFA, and 15 wt% CNT cured within 28 days recorded maximum behaviour of compression strength (47 ± 1.8 MPa), flexural strength (4.9 ± 0.19 MPa), and water absorption of (2.8 ± 0.05 %).

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