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1.
Sci Total Environ ; 947: 174564, 2024 Jul 05.
Article in English | MEDLINE | ID: mdl-38972401

ABSTRACT

The bacterial community in sediment serves as an important indicator for assessing the environmental health of river ecosystems. However, the response of bacterial community structure and function in river basin sediment to different land use/cover changes has not been widely studied. To characterize changes in the structure, composition, and function of bacterial communities under different types of land use/cover, we studied the bacterial communities and physicochemical properties of the surface sediments of rivers. Surface sediment in cropland and built-up areas was moderately polluted with cadmium and had high nitrogen and phosphorus levels, which disrupted the stability of bacterial communities. Significant differences in the α-diversity of bacterial communities were observed among different types of land use/cover. Bacterial α-diversity and energy sources were greater in woodlands than in cropland and built-up areas. The functional patterns of bacterial communities were shown that phosphorus levels and abundances of pathogenic bacteria and parasites were higher in cropland than in the other land use/cover types; Urban activities have resulted in the loss of the denitrification function and the accumulation of nitrogen in built-up areas, and bacteria in forested and agricultural areas play an important role in nitrogen degradation. Differences in heavy metal and nutrient inputs driven by land use/cover result in variation in the composition, structure, and function of bacterial communities.

2.
J Environ Manage ; 366: 121594, 2024 Jul 05.
Article in English | MEDLINE | ID: mdl-38971061

ABSTRACT

In the management of urban drainage networks, great interest has been generated in the removal of sediments from sewer systems. The unsteady three-dimensional (3D) flow and turbulent coherent structures surrounding sediment reduction plates in a sewer system are investigated by means of the detached-eddy simulation (DES). Particular emphasis is given to detailing the instantaneous velocity and vorticity fields within the grooves, along with an examination of the three-dimensional, long-term, average flow structure at a Reynolds number of approximately 105. Velocity vectors demonstrate continuous flapping of the flow on the groove wall, periodically interacting with ejections of positive and negative vorticity originating from the grooves. The interaction between the three-dimensional groove flow and the shear flow leads to the downstream transport of patches of positive and negative vorticity, which significantly influence sediment transport. The high-velocity shear flows and strong vortices generated in undulating topography, as identified by the Q-criteria, are the key factors contributing to the efficient sediment reduction capabilities of the sediment reduction plates. The sediment reduction plates with partially enclosed structures exhibit low sedimentation rates in grooves on the plate, a broader acceleration region, and a lesser impact on the flow capacity. The results improve the understanding of the hydrodynamics and turbulent coherent structures surrounding the sediment reduction plates while elucidating the driving factors behind the enhancement of sediment scouring and suspension capacities. These results indicate that the redesign of the plates as partially enclosed structures contributes to further improving their sediment reduction performance.

3.
ACS Omega ; 9(28): 30571-30582, 2024 Jul 16.
Article in English | MEDLINE | ID: mdl-39035970

ABSTRACT

Ulcerative colitis (UC) is a chronic inflammatory bowel disease characterized by the disruption of the intestinal epithelial barrier. This study described the synthesis and characterization of CCM-Co-ZIF-8, a novel composite material with enzyme-like activities similar to catalase, peroxidase, and superoxide dismutase. CCM-Co-ZIF-8 demonstrated the ability to scavenge reactive oxygen species that play a critical role in UC pathogenesis. In vitro studies using lipopolysaccharide-induced RAW264.7 cells showed that CCM-Co-ZIF-8 exhibited anti-inflammatory activity by promoting the transition of macrophages from an M1 to an M2 phenotype. In vivo experiments using a mouse model of UC demonstrated that CCM-Co-ZIF-8 suppressed the expression of proinflammatory cytokines. These findings suggested that CCM-Co-ZIF-8 might hold promise as a therapeutic strategy for the treatment of UC.

5.
Skin Res Technol ; 30(7): e13848, 2024 Jul.
Article in English | MEDLINE | ID: mdl-38978226

ABSTRACT

BACKGROUND: Plant polysaccharides have various biological activities. However, few studies have been conducted on the skin barrier of Prinsepia utilis Royle polysaccharide extract (PURP). MATERIALS AND METHODS: The proportions of polysaccharides, monosaccharides and proteins were determined by extracting polysaccharides from fruit meal using water. The healing rate was measured by cell scratch assays. SDS-damaged reconstructed human epidermal models, an acetone-ether-induced mouse model and an IL-4-induced cellular inflammation model were used to detect the effects of polysaccharides on the phenotype, HA, TEWL, and TEER, with further characterizations performed using QRT-PCR, Western blotting, immunofluorescence (IF) assays. RESULTS: PURP contained 35.73% polysaccharides and 11.1% proteins. PURP promoted cell migration and increased skin thickness in a reconstructed human epidermis model. The TEWL significantly decreased, and the HA content significantly increased. PURP significantly increased the TEER and decreased the permeability of the SDS-damaged reconstructed human epidermis model. Claudin-3, Claudin-4, and Claudin-5 were significantly upregulated. IF and Western blot analysis revealed that the Claudin-4 level significantly increased after treatment with PURP. Claudin-1, Claudin-3, Claudin-4, and Claudin-5 gene expression and IF and immunohistochemical staining were significantly increased in mice treated with acetone-ether. PURP promoted the expression of Claudin-1, Claudin-3, Claudin-4, and Claudin-5 after treatment with 100 ng/mL IL-4. PURP also downregulated the expression of NO, IL6, TNFα and NFκB in Raw 264.7 cells and in a mouse model. CONCLUSION: We hypothesize that PURP may repair the skin barrier by promoting the expression of the claudin family and can assist in skin therapy.


Subject(s)
Claudins , Plant Extracts , Polysaccharides , Animals , Mice , Polysaccharides/pharmacology , Humans , Plant Extracts/pharmacology , Claudins/metabolism , Claudins/genetics , Epidermis/drug effects , Epidermis/metabolism , Disease Models, Animal , Cell Movement/drug effects , Wound Healing/drug effects , Skin/drug effects , Skin/metabolism
6.
Front Plant Sci ; 15: 1423586, 2024.
Article in English | MEDLINE | ID: mdl-39027670

ABSTRACT

High sugar content in peanut seeds is one of the major breeding objectives for peanut flavor improvement. In order to explore the genetic control of sugar accumulation in peanut kernels, we constructed a recombinant inbred line population of 256 F2:6-7 lines derived from the Luhua11 × 06B16 cross. A high-resolution genetic map was constructed with 3692 bin markers through whole genome re-sequencing. The total map distance was 981.65 cM and the average bin marker distance was 0.27cM. A major stable QTL region (qSCB09/qSSCB09) was identified on linkage group (LG) B09 associated with both sucrose content (SC) and soluble sugar content (SSC) explaining 21.51-33.58% phenotypic variations. This major QTL region was consistently detected in three environments and mapped within a physical interval of 1.56 Mb on chromosome B09, and six candidate genes were identified. These results provide valuable information for further map-based cloning of favorable allele for sugar content in peanut.

7.
Int Immunopharmacol ; 139: 112689, 2024 Jul 18.
Article in English | MEDLINE | ID: mdl-39029234

ABSTRACT

BACKGROUND: Oxidative stress is increased in allogeneic hematopoietic stem cell transplant (allo-HSCT) recipients and leads to the development of graft versus host disease (GVHD). Mesenchymal stromal cells (MSCs) can ameliorate GVHD by regulating the function of T cells. However, whether MSCs can modulate erythrocyte antioxidant metabolism and thus reduce GVHD is not known. METHODS: Forty female BALB/c mice were randomly assigned to four groups: the control, GVHDhigh, hPMSC, and PBS groups. A hypoxanthine/xanthine oxidase system was used to steadily and gradually produce superoxide in an in vitro experiment. A scanning microscope was used to examine the ultrastructure of erythrocytes. Laser diffraction analyses were used to analyze erythrocyte deformability. Western blotting was used to measure the expression of the erythrocyte membrane skeleton proteins Band 3 and ß-Spectrin. Corresponding kits were used to assess the levels of oxidative damage and the activity of antioxidant enzymes. RESULTS: Morphological and deformability defects were significantly increased in erythrocytes from GVHD patients. Band 3 and ß-Spectrin expression was also reduced in GVHD patients and model mice. Furthermore, we observed significantly increased oxidative stress-induce injury and decreased antioxidant capability in erythrocytes from both GVHD patients and model mice. Subsequent research showed that human placenta-derived MSC (hPMSC) therapy decreased the GVHD-induced redox imbalance in erythrocytes. Furthermore, our findings suggested that upregulating glucose metabolism promoted both the de novo synthesis and recycling of GSH, which is the primary mechanism by which hPMSCs mediate the increase in antioxidant capacity in erythrocytes. CONCLUSION: Together, our findings suggest that hPMSCs can increase antioxidant capacity by increasing erythrocyte GSH production and thus ameliorate GVHD.

8.
Environ Technol ; : 1-14, 2024 Jul 25.
Article in English | MEDLINE | ID: mdl-39052953

ABSTRACT

In winter, rivers at high latitudes often freeze and an ice cover emerges at the free surface of the river. According to the coverage degree of the ice cover, rivers can be divided into free-flowing, partially frozen, and completely frozen. The presence of ice cover can greatly alter the hydraulic conditions of rivers, complicating the transport of pollutants in river channels. The distribution of pollutants in rivers with different ice coverages was simulated using the Detached Eddy Simulation (DES) model in this paper. The velocity distribution, the pollutant diffusion coefficient distribution, the turbulent kinetic energy distribution, and the vortex distribution with different ice coverages were analyzed. The velocity in the ice cover zone is at a lower rate than in the open flow zone. With the increase of the ice coverage, the turbulent kinetic energy of the ice cover area in partially frozen conditions gradually increases, which makes the water flow turbulence increase. The diffusion coefficient of pollutants in the ice cover area is greater than that in the open flow area, so pollutants disperse more quickly in the ice cover area. The turbulence energy and the diffusion coefficient have similar distribution characteristics beneath the ice cover. The presence of the ice cover promotes the movement of the vortex from the open flow area to the ice cover area, which may be the reason for the larger turbulence energy and the diffusion coefficient. The simulation results can provide a reference for ice disasters and water quality remediation.

9.
J Community Health Nurs ; : 1-15, 2024 Jul 09.
Article in English | MEDLINE | ID: mdl-38982794

ABSTRACT

This study aimed to develop and validate a community-based ostomy care training program for nursing staff, with the goal of enhancing their ostomy nursing competencies and improving patient satisfaction. Between March 2021 and October 2021, 20 registered nurses and 50 patients with enterostomy surgery who took part in the promotion of a new nursing technique in five community health service centers in the Wuxing District, Huzhou City, were enrolled in this study (forming the intervention group). In addition, 15 registered nurses and 40 patients with enterostomy surgery from four community health service centers with similar economic and health conditions in the same area were randomly selected as the control group. All community health service centers were independent institutions. The indexes before and after the promotion of the technique were compared, and the effectiveness of the training was evaluated by observing the improvement in nursing skills and changes in patient quality of life after the training. The "quality-of-life scale" was used to analyze the quality of life of patients who had undergone colostomy surgery. The new approach to ostomy care delivered in a community setting was found to improve staff knowledge and skill in ostomy care (p < 0.001), improve the quality-of-life scores of patients and reduce patient travel time and medical expenses. The promotion of ostomy nursing techniques in community health service centers has several benefits. It improves the ostomy nursing skill levels of community medical staff. This reduces the occurrence of ostomy complications. Additionally, it establishes an effective connection between tertiary hospitals and community health service centers. This connection is conducive to better nursing care for patients who have undergone ostomy surgery. The hospital - community - family nursing model can improve self-management abilities and reduce the incidence of complications of enterostomies.

10.
J Cancer ; 15(13): 4205-4218, 2024.
Article in English | MEDLINE | ID: mdl-38947377

ABSTRACT

Purpose: Bone metastasis (BoM) has been closely associated with increased morbidity and poor survival outcomes in patients with non-small cell lung cancer (NSCLC). Given its significant implications, this study aimed to systematically compare the biological characteristics between advanced NSCLC patients with and without BoM. Methods: In this study, the genomic alterations from the tumor tissue DNA of 42 advanced NSCLC patients without BoM and 67 patients with BoM and were analyzed by a next-generation sequencing (NGS) panel. The serum concentrations of 18 heavy metals were detected by inductively coupled plasma emission spectrometry (ICP-MS). Results: A total of 157 somatic mutations across 18 mutated genes and 105 somatic mutations spanning 16 mutant genes were identified in 61 out of 67 (91.05%) patients with BoM and 37 of 42 (88.10%) patients without BoM, respectively. Among these mutated genes, NTRK1, FGFR1, ERBB4, NTRK3, and FGFR2 stood out exclusively in patients with BoM, whereas BRAF, GNAS, and AKT1 manifested solely in those without BoM. Moreover, both co-occurring sets of genes and mutually exclusive sets of genes in patients with BoM were different from those in patients without BoM. In addition, the serum concentrations of Cu and Sr in patients with BoM were significantly higher than in patients without BoM. One of our aims was to explore how these heavy metals associated with BoM interacted with other heavy metals, and significant positive correlations were observed between Cu and Co, between Cu and Cr, between Sr and Ba, and between Sr and Ni in patients with BoM. Given the significant impacts of molecular characteristics on patients' prognosis, we also observed a noteworthy negative correlation between EGFR mutations and Co, alongside a significant positive correlation between TP53 mutations and Cd. Conclusions: The genomic alterations, somatic interactions, key signaling pathways, functional biological information, and accumulations of serum heavy metals were markedly different between advanced NSCLC patients with and without BoM, and certain heavy metals (e.g., Cu, Sr) might have potentials to identify high-risk patients with BoM.

11.
Heliyon ; 10(11): e32606, 2024 Jun 15.
Article in English | MEDLINE | ID: mdl-38961978

ABSTRACT

Emerging evidence has illuminated the pivotal role of long noncoding RNAs (lncRNAs) in orchestrating immunological functions and autoimmune responses. In the context of Crohn's disease (CD), an array of novel lncRNAs has been identified in the plasma and intestinal tissues of afflicted individuals, suggesting a dualistic influence on the disease progression, either exacerbating or mitigating its course. Current research has demonstrated the involvement of lncRNAs in competitive endogenous RNA, the inflammation process, epithelial barrier function, gut microbiota imbalance, and epigenetic regulation. This review aims to encapsulate the current knowledge on the lncRNA contribution to CD and underscore potential avenues for future research. LncRNAs are increasingly recognized as significant biomarkers and potential therapeutic targets, holding a key position in the pathogenesis of CD. Furthermore, the unique attributes of circulating lncRNAs, such as minimal side effects, combinational therapy potential, and personalized medicine, render them as promising therapeutic tools for individual health management in CD.

13.
J Environ Manage ; 365: 121569, 2024 Aug.
Article in English | MEDLINE | ID: mdl-38914045

ABSTRACT

Mangrove ecosystems play an important role in carbon (C) sequestration and nitrogen (N) removal. Although Spartina alterniflora has successively invaded native mangrove habitats during the preceding two decades, the effects of this invasion on the microbial functional potential involved in nutrient cycling remain unclear. In this study, metagenomic sequencing was used to investigate microbial C and N cycling in sediments derived from S. alterniflora and three native mangrove species (Kandelia obovata, Avicennia marina, and Aegiceras corniculatum). Greater differences in functional profiles of C and N cycling-related genes were observed between S. alterniflora and mangrove sediments than between different mangrove sediments. Functional diversity was lower in S. alterniflora sediments than in native mangrove sediments. The growth of Thaumarchaeota and Proteobacteria, was enhanced due to their resilience to diversity loss, while the growth of oligotrophs, such as Chloroflexi and Firmicutes, was inhibited in S. alterniflora sediments. Compared to mangrove sediments, the abundance of genes involved in C fixation and methane production was lower in S. alterniflora sediments. However, S. alterniflora significantly increased the gene abundance of pmo which controlled the oxidation process of CH4 to carbon dioxide. Additionally, genes involved in nitrification were enriched, whereas genes involved in N reduction processes, such as denitrification and dissimilatory nitrate reduction to ammonium, N immobilization, and N mineralization, were depleted in S. alterniflora sediments compared to mangrove sediments. Partial least squares regression models demonstrated that the decrease in soil organic C and increase in pH after S. alterniflora invasion induced the loss of microbial functional diversity, which was the main driver of changes in the abundances of genes involved in C and N cycling. Overall, our findings indicate that S. alterniflora invasion modifies the microbial functional profile of nutrient cycling in native mangrove ecosystems and potentially weakens the capacity of mangroves to sequester carbon and remove nitrogen.


Subject(s)
Carbon Sequestration , Nitrogen , Wetlands , Nitrogen/metabolism , Carbon/metabolism , Poaceae/metabolism , Geologic Sediments/microbiology , Ecosystem
14.
Int J Mol Sci ; 25(12)2024 Jun 12.
Article in English | MEDLINE | ID: mdl-38928189

ABSTRACT

Plants photoreceptors perceive changes in light quality and intensity and thereby regulate plant vegetative growth and reproductive development. By screening a γ irradiation-induced mutant library of the soybean (Glycine max) cultivar "Dongsheng 7", we identified Gmeny, a mutant with elongated nodes, yellowed leaves, decreased chlorophyll contents, altered photosynthetic performance, and early maturation. An analysis of bulked DNA and RNA data sampled from a population segregating for Gmeny, using the BVF-IGV pipeline established in our laboratory, identified a 10 bp deletion in the first exon of the candidate gene Glyma.02G304700. The causative mutation was verified by a variation analysis of over 500 genes in the candidate gene region and an association analysis, performed using two populations segregating for Gmeny. Glyma.02G304700 (GmHY2a) is a homolog of AtHY2a in Arabidopsis thaliana, which encodes a PΦB synthase involved in the biosynthesis of phytochrome. A transcriptome analysis of Gmeny using the Kyoto Encyclopedia of Genes and Genomes (KEGG) revealed changes in multiple functional pathways, including photosynthesis, gibberellic acid (GA) signaling, and flowering time, which may explain the observed mutant phenotypes. Further studies on the function of GmHY2a and its homologs will help us to understand its profound regulatory effects on photosynthesis, photomorphogenesis, and flowering time.


Subject(s)
Exons , Gene Expression Regulation, Plant , Glycine max , Hypocotyl , Photosynthesis , Glycine max/genetics , Glycine max/growth & development , Glycine max/metabolism , Photosynthesis/genetics , Exons/genetics , Hypocotyl/genetics , Hypocotyl/growth & development , Sequence Deletion , Plant Proteins/genetics , Plant Proteins/metabolism , Gibberellins/metabolism , Gene Expression Profiling , Phenotype
15.
Sci Total Environ ; 945: 174053, 2024 Oct 01.
Article in English | MEDLINE | ID: mdl-38897464

ABSTRACT

Flue gas desulfurization gypsum (FGDG), a solid waste produced during sulfur removal in coal-fired power plants, has applications in saline-alkali soil amelioration due to its function of calcium­sodium ion exchange. Existing research has focused on the use of gypsum to improve saline-alkali soils in non-coastal areas. However, coastal areas are not only extensively salinized, but an important source of methane, and surprisingly, FGDG may assist to decrease methane formation mainly by the action of sulfate radical. This is the first critical review to systematically discuss the effects of FGDG on both saline-alkali soil improvement and carbon emission control in tidal flats, including application status, amendment principles, environmental risks and methane emission control. After adding FGDG, soil salinization degree was weakened via adjusting soil structure, pH, exchangeable sodium percentage and electric conductivity, introduction of nutrients also promotes crop growth. The optimal FGDG dosage in tidal flats seems to be higher (>2 %) than that in non-coastal areas (<1 %). Its environmental risks regarding heavy metals and eutrophication are evaluated safe. In tidal areas, more methane is produced in hot seasons and ebb tides. Plants and invertebrates also promote methane release. FGDG controls methane production by promoting the activity of sulfate-reducing bacteria and inhibiting methanogens. Considering methane flux levels and seawater erosion, FGDG use in low tidal beach needs more research, while that in high and middle tidal beach is recommended. This review will expand applications and appropriate use of FGDG for reducing carbon emission and improving ecological services in coastal areas.

16.
Stat Med ; 2024 Jun 23.
Article in English | MEDLINE | ID: mdl-38923006

ABSTRACT

Integrative analysis has emerged as a prominent tool in biomedical research, offering a solution to the "small n $$ n $$ and large p $$ p $$ " challenge. Leveraging the powerful capabilities of deep learning in extracting complex relationship between genes and diseases, our objective in this study is to incorporate deep learning into the framework of integrative analysis. Recognizing the redundancy within candidate features, we introduce a dedicated feature selection layer in the proposed integrative deep learning method. To further improve the performance of feature selection, the rich previous researches are utilized by an ensemble learning method to identify "prior information". This leads to the proposed prior assisted integrative deep learning (PANDA) method. We demonstrate the superiority of the PANDA method through a series of simulation studies, showing its clear advantages over competing approaches in both feature selection and outcome prediction. Finally, a skin cutaneous melanoma (SKCM) dataset is extensively analyzed by the PANDA method to show its practical application.

17.
Biomimetics (Basel) ; 9(6)2024 Jun 17.
Article in English | MEDLINE | ID: mdl-38921246

ABSTRACT

Skin aging is a complex physiological process, in which cells and the extracellular matrix (ECM) interreact, which leads to a change in the mechanical properties of skin, which in turn affects the cell secretion and ECM deposition. The natural skin microrelief that exists from birth has rarely been taken into account when evaluating skin aging, apart from the common knowledge that microreliefs might serve as the starting point or initialize micro-wrinkles. In fact, microrelief itself also changes with aging. Does the microrelief have other, better uses? In this paper, owing to the fast-developing 3D printing technology, skin wrinkles with microrelief of different age groups were successfully manufactured using the Digital light processing (DLP) technology. The mechanical properties of skin samples with and without microrelief were tested. It was found that microrelief has a big impact on the elastic modulus of skin samples. In order to explore the role of microrelief in skin aging, the wrinkle formation was numerically analyzed. The microrelief models of different age groups were created using the modified Voronoi algorithm for the first time, which offers fast and flexible mesh formation. We found that skin microrelief plays an important role in regulating the modulus of the epidermis, which is the dominant factor in wrinkle formation. The wrinkle length and depth were also analyzed numerically for the first time, owing to the additional dimension offered by microrelief. The results showed that wrinkles are mainly caused by the modulus change of the epidermis in the aging process, and compared with the dermis, the hypodermis is irrelevant to wrinkling. Hereby, we developed a hypothesis that microrelief makes the skin adaptive to the mechanical property changes from aging by adjusting its shape and size. The native-like skin samples with microrelief might shed a light on the mechanism of wrinkling and also help with understanding the complex physiological processes associated with human skin.

19.
J Formos Med Assoc ; 2024 Jun 20.
Article in English | MEDLINE | ID: mdl-38906733

ABSTRACT

BACKGROUND PURPOSE: Rituximab (RTX),an anti-CD20 monoclonal antibody can effectively treat minimal change disease (MCD),with low toxicity and a reduced steroid dosage. The optimal dosage of RTX for treating MCD remains unclear. This study aimed to investigate the efficacy of an ultra-low-dose regimen of RTX (100 mg per week for 4 weeks) for treating MCD. METHODS: We retrospectively analyzed clinical data from 31 patients with MCD who received RTX. Seventeen patients received ultra-low-dose RTX (ULD-RTX) therapy, and 14 patients received standard-dose RTX (SD-RTX) therapy (500 mg weekly for 4 weeks). All patients were followed up for at least 6 months. RESULTS: Both groups showed significant increases in the serum albumin levels and notable decreases in the urinary protein levels in the 1st and 6th months after RTX therapy. There were no significant differences in the plasma albumin or urinary protein levels between the groups (p > 0.05). B-cell depletion was observed in all patients after 1 month of RTX administration. At 6 months after RTX treatment, the remission rate was 93% in the SD-RTX group and 88% in the ULD-RTX group (p > 0.05). The ULD-RTX therapy incurred lower costs than did the SD-RTX therapy. One patient in the SD-RTX group developed community-acquired pneumonia. CONCLUSION: Ultra-low-dose RTX is effective at inducing remission in patients with MCD at a lower cost.

20.
J Phys Chem B ; 128(26): 6327-6337, 2024 Jul 04.
Article in English | MEDLINE | ID: mdl-38913878

ABSTRACT

Transdermal behavior is a critical aspect of studying delivery systems and evaluating the efficacy of cosmetics. However, existing methods face challenges such as lengthy experiments, high cost, and limited model accuracy. Therefore, developing accurate transdermal models is essential for formulation development and effectiveness assessment. In this study, we developed a multiscale model to describe the transdermal behavior of active ingredients in the stratum corneum. Molecular dynamics simulations were used to construct lipid bilayers and determine the diffusion coefficients of active ingredients in different regions of these bilayers. These diffusion coefficients were integrated into a multilayer lipid pathway model using finite element simulations. The simulation results were in close agreement with our experimental results for three active ingredients (mandelic acid (MAN), nicotinamide (NIC), and pyruvic acid (PYR)), demonstrating the effectiveness of our multiscale model. This research provides valuable insights for advancing transdermal delivery methods.


Subject(s)
Administration, Cutaneous , Lipid Bilayers , Molecular Dynamics Simulation , Niacinamide , Pyruvic Acid , Niacinamide/chemistry , Niacinamide/administration & dosage , Lipid Bilayers/chemistry , Pyruvic Acid/chemistry , Mandelic Acids/chemistry , Mandelic Acids/administration & dosage , Diffusion , Skin/metabolism , Skin/chemistry
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