Analysis Of Distribution Research Articles

Histochemical analysis of osteoclast and osteoblast distributions on hydroxyapatite/collagen bone-like nanocomposite embedded in rat tibiae.

Hydroxyapatite (HAp)/collagen (Col) cylinders with laminated collagen layers were implanted into the tibial diaphysis of rats and examined histochemically to clarify how the orientation of HAp and Col bone-like nanocomposite fibers in HAp/Col blocks affects bone resorption and formation. HAp/Col fibers were synthesized and compressed into cylindrical blocks to mimic bone nanostructures. These were implanted into the cortical bone cavities of 10-week-old male Wistar rats with fiber bundles parallel to the tibial surface. The implants were histologically analyzed at 3, 5, 7, 14, and 28 days after implantation. TRAP-positive osteoclasts appeared after 3-5 days in the lateral region of the graft, where the fiber ends were exposed, but not in the bottom region, where the HAp/Col fibers were parallel to the surface. Osteoclasts were observed in both regions by day 14. PHOSPHO1-positive osteoblasts were first detected on day 5, appearing slightly away from the cylinder laterally but directly on the bottom surface. A few osteoblasts contacted the block laterally, whereas many were observed on the new bone tissue at the bottom, between days 7 and 14. Bone formation was induced earlier in the bottom region, whereas lateral resorption was dominant. This suggested the uncoupling of bone resorption and formation in the early postimplantation stages. However, bone remodeling shifted to coupling between osteoclasts and osteoblasts throughout the cylinder by day 28. The orientation of HAp/Col fibers in HAp/Col graft materials substantially affected the preferential induction of bone resorption or formation during the early stages of bone regeneration.

Transformative characteristics of aquatic and soil organic matter in a constructed wetland consisting of Acorus, Nuphar, and Typha ponds.

This study investigated the transformative characteristics of dissolved organic matter (DOM) within constructed wetlands (CWs) and elucidated the distinct interplay between aquatic DOM and soil organic matter (SOM) during different treatment stages. Through comprehensive analyses, including water quality assessments, molecular weight distribution, fluorescence spectrometry, and molecular structure analysis, our investigation revealed profound transformations in aquatic DOM characteristics facilitated by CWs. Notably, the significant increase in dissolved organic carbon (DOC) concentrations within the Typha pond underscored the pivotal role of anaerobic decomposition in organic matter accumulation. Structural analysis indicated a transition toward lipid- and protein-based substances, suggesting robust microbial degradation of aromatic DOMs. Considerable differences between aquatic DOM and SOM were observed, with SOM exhibiting a lower molecular weight and a richer array of oxygen-containing functional groups of organic substances, indicative of soil adsorption processes. This study highlights the transformation of DOM in CWs as a complex interaction between autochthonous and allochthonous sources, in which the soil adsorption of specific organic fractions notably influences the CW ecosystem. Our findings emphasize the capacity of CW to enhance water quality through natural remediation processes and provide valuable insights into optimizing CW design and management for improved wastewater treatment and ecological sustainability.

Synthesis, Structure, DFT Investigation, and In Silico Anticancer Activity of N‐(4‐Methoxyphenyl)‐N′‐Methyl Thiourea

AbstractThe molecule of N‐(4‐methoxyphenyl)‐N′‐methyl thiourea (NMTU) was synthesized and characterized through FT‐IR, UV–vis, and 1H, 13C NMR analyses. Its absolute structure was established using single‐crystal X‐ray diffraction (SC‐XRD). The compound crystallizes in the P21/c space group of the monoclinic crystallographic system. Additionally, theoretical evaluations were performed using the density functional theory (DFT) with the B3LYP functional at the 6‐311G(d,p) basis set in the gas phase, showing that the theoretical geometry is in agreement with the X‐ray structural parameters. The analysis of the 3D structure, including dihedral angles, revealed that the compound was non‐planar. The HOMO and LUMO energy values, the global chemical reactivity descriptors, and the molecular electrostatic potential (MEP) were calculated, highlighting the molecule's positive and negative regions, as well as its stability and several electronic characteristics. Hirshfeld surface and 2D fingerprint plots were used to study intermolecular interactions within the crystal. The identified predominant interactions were H⋅⋅⋅H (58.1%), S⋅⋅⋅H/H⋅⋅⋅S (19%), and C⋅⋅⋅H/H⋅⋅⋅C (18.4%). Non‐bonded and weak interactions were investigated using the reduced density gradient (NCI‐RDG). Also, Mulliken charge distribution and natural bond orbital (NBO) analysis for electron transfer were performed at the same theoretical level. Finally The absorption, distribution, metabolism, excretion, and toxicity (ADMET) assessment followed by molecular docking studies were conducted to explore the toxicity and the biological activity of NMTU against mitochondria‐related disease and binding energies with the target protein (PDB ID: 1NTK).

Charge distribution and electromagnetic force analysis of linear metal particles in DC GIS

Charge distribution and electromagnetic force analysis of linear metal particles in DC GIS

Synthesis, in silico and bio-evaluation studies of new isothiocyanate derivatives with respect to COX inhibition and H2S release profiles.

The development of H2S-donating derivatives of non-steroidal anti-inflammatory drugs (NSAIDs) is considered important to reduce or overcome their gastrointestinal side effects. Sulforaphane, one of the most extensively studied isothiocyanates (ITCs), effectively releases H2S at a slow rate. Thus, we rationally designed, synthesized, and characterized new ITC derivatives (I1-3 and I1a-e) inspired by the natural compound sulforaphane. The anti-inflammatory properties of these compounds were evaluated by their inhibitory activities against cyclooxygenase targets COX-1 and COX-2. Additionally, the cytotoxicity of the compounds was tested using the MTT assay on LPS-induced RAW 264.7 cells, revealing no cytotoxic effects at low doses. Notably, compounds I1 and fluorine-containing ester derivative I1c emerged as the most potent and selective COX-2 inhibitors, with selectivity indexes of 2611.5 and 2582.4, respectively. The H2S-releasing capacities of ITC derivatives were investigated and compared with that of sulforaphane, showing that while compounds I1-3 exhibit slow and similar H2S release to sulforaphane, the release from compounds I1a-e was not as pronounced as that of the standard. Physics-based molecular modeling studies including molecular docking and molecular dynamics (MD) simulations, binding free energy calculations and absorption, distribution, metabolism, and excretion (ADME) analyses were also conducted. MD simulations analysis underscored the crucial amino acids such as Tyr385, Trp387, Phe518, Val523, and Ser530 in the interactions between I1c hit compound and COX-2. The combined in silico and in vitro findings suggest that compounds I1 and I1c are promising NSAID candidates against selective COX-2 inhibition.

Distribution and sequence analysis of the melanocortin 2 receptor in horses and ponies.

The melanocortin 2 receptor (MC2R) has relevance to equine pituitary pars intermedia dysfunction (PPID), as it is the primary binding site for ACTH, which circulates at elevated concentrations in animals affected by PPID. Despite this, little is known about MC2R in equine species. The overall aim of this investigation was to determine MC2R mRNA expression in tissues relevant to PPID in healthy horses and to examine the MC2R gene sequence in a cohort of horses and ponies with and without PPID. The study found that the MC2R gene was expressed in both adrenal and pituitary gland tissues as reported in other mammalian species. However, no expression was seen in adipose or skin tissue. An investigation of the tissue distribution and functionality of the MC2R in individuals with PPID is now recommended. Then, we investigated the coding regions (exons) of the equine MC2R gene for variations associated with PPID in a limited number of animals. This was performed using a hybridised gene capture and next generation sequencing method which found a 100% pairwise identity between all 28 individuals in the study, and with the reference genome sequence. This preliminary study found no evidence of major genetic variations in the coding region of the MC2R gene associated with PPID, though variants affecting expression may occur in the introns or remain unidentified within the exons of the gene and studies on a larger scale are required.

Numerical Study of Supercritical Flow over Mesh-panel Bottom Rack Used to Estimate the Dividing Discharge Streamline in Clear Water Conditions

Bottom racks are critical for diverting flow for small hydropower projects. This study investigates the hydraulic behavior of a mesh-panel bottom rack, comprising longitudinal and transverse bars, under clear-water conditions using a numerical model developed with the Flow-3D finite volume code. The research focuses on the discharge dividing streamline (DDS) and derives an empirical regression equation for its position based on model results. The numerical model is calibrated and validated against experimental data from Bina and Saghi (2017), yielding average relative errors of 3.4% for diverted discharge (Qd) and 1.9% for remaining discharge (Qr). The pressure distribution and vertical flow velocity analyses reveal that negative pressure around the transverse bars enhances diverted discharge. The vertical velocity distribution shows that outflow begins after approximately 30% of the rack length. The deep velocity distribution extracted from the Flow-3D model matches experimental data well, achieving a coefficient of determination (R² = 0.98) and a relative error (Er = 0.32%). This study proposes a regression relation to estimate the normalized DDS position, facilitating easy determination of diverted discharge in river diversion projects by measuring the approaching flow depth. Keywords: Bottom rack, Diverted discharge ratio (DDR), Discharge dividing streamline (DDS), Flow-3D numerical model, Hydraulic behavior, Vertical flow velocity.

An efficient and flexible approach for local distortion: distortion distribution analysis enabled by fragmentation.

Distortion can play crucial roles in influencing structures and properties, as well as enhancing reactivity or selectivity in many chemical and biological systems. The distortion/interaction or activation-strain model is a popular and powerful method for deciphering the origins of activation energies, in which distortion and interaction energies dictate an activation energy. However, decomposition of local distortion energy at the atomic scale remains less clear and straightforward. Knowing such information should deepen our understanding of reaction processes and improve reaction design. Herein, an efficient, general and flexible fragmentation-based approach was proposed to evaluate local distortion energies for various chemical and biological molecules, which can be obtained computationally and/or experimentally. Moreover, our distortion analysis is readily applicable to multiple structures from molecular dynamics (or the minimum energy path) as well as can be evaluated by different computational chemistry methods. Our systematic analysis shows that our approach not only aids computational and experimental chemists in visualizing (relative) distortion distributions within molecules (distortion map) and identifies the key distorted pieces, but also offers deeper understanding and insights into structures, reaction mechanisms and dynamics in various chemical and biological systems. Furthermore, our analysis offers indices of local distortion energy, which can potentially serve as a new descriptor for multi-linear regression (MLR) or machine learning (ML) modelling.

Subconjunctival injection of microcrystalline prodrug of dexamethasone for long-acting anti-inflammation after phacoemulsification surgery

Long-acting injectable formulations of dexamethasone with minimal invasiveness are highly desired to manage chronic ocular inflammatory conditions. Here, we applied microcrystals (MCs) of a hydrophobic acetone-based ketal-linked prodrug of dexamethasone (SKD) to treat postoperative ocular inflammation. We compared the efficacy and safety of SKD MCs through subconjunctival (SC) injection with that of Maxidex (a topical suspension of dexamethasone MCs) through SC injection and eye drops in the phacoemulsification combined with intraocular lens implantation (Phaco-IOL) rabbit model. In Phaco-IOL rabbit eyes, a single SC injection of SKD MCs (0.4 mg dexamethasone equiv.) showed anti-inflammatory effects comparable to Maxidex eye drops and completely alleviated the inflammation within 28 days, while an SC injection of Maxidex at the same dose only provided anti-inflammatory effects for 7 days. The study on the dose-dependent anti-inflammatory effects of SKD MCs showed no significant difference in anti-inflammatory effects for the high dosage (0.8 mg dexamethasone equiv.) and the low dosage (0.4 mg dexamethasone equiv.) in 28 days. Nevertheless, systematic drug distribution of SKD MCs and Maxidex in normal rabbits after SC injection demonstrates that the drug concentration in conjunctiva was higher for the high dosage and that a considerable amount of prodrug and dexamethasone could still be detected in the cornea and iris-ciliary body at least 84 days for SKD MCs at high dosage. Furthermore, no persistent elevated intraocular pressure and abnormality in retinal structure and thickness were observed, confirming the excellent safety of long-acting SKD MCs post-SC injection. Our findings provide valuable insights into using prodrug-based MCs for treating ocular postoperative inflammation, and the detailed drug distribution analysis would promote the clinical translation of these MCs in ocular diseases.

Performance of UAV Networks With Multi-User Interference: A Meta Distribution Analysis

Performance of UAV Networks With Multi-User Interference: A Meta Distribution Analysis

Impact of rehydration on multi-scale structural transformations and starch digestibility of dried noodles.

To understand the relationship between the structure and starch digestibility of dried noodles, the changes in multi-scale structure and in vitro starch digestibility of dried noodles with different protein contents (ranging from 10% to 15%) during rehydration were tracked. The results indicated that the hardness of dried noodles decayed according to the first-order exponential decay function, with rapid and slow stages. This depended on near-linear protein aggregation and near-logarithmic starch gelatinization. The gelatinization degree reached 70.9 to 79.4% in the early stage of rehydration. Water absorption kinetics and distribution analysis revealed that the moisture migrating into the noodles was initially utilized for starch gelatinization. This led to the formation of a honeycomb gel structure at the edge of the noodles, which gradually spread from the edge to the center, as observed by SEM and CLSM. As rehydration progressed, the starch digestion degree increased. The digestion rate (k1) decreased with the formation of the composite gel structure, while k2 showed an increased trend. Additionally, with the increase in the protein content of noodles, the aggregation degree and increment were enhanced. This resulted in the formation of a more compact composite gel structure, which reduced the rate and extent of starch digestion within the noodles. When the noodles were overcooked, the C∞ of the high-protein samples was reduced by approximately 10% compared to that of the low-protein samples. Overall, the formation of the composite gel structure reduces the heterogeneity of the noodles from the edge to the center, resulting in a closer starch digestion rate in fast and slow steps. Besides, the rapid and massive aggregation of proteins at high protein content contributed to the formation of a compact gel structure, which in turn interfered with the rate and extent of starch digestion.

EMPLOYING THIN PLANAR ELECTRODES TO EXPAND THE IONIC WIND FLOW COVERAGE AREA AND ACHIEVE ENHANCED HEAT DISSIPATION

The suboptimal photoelectric conversion efficiency of light-emitting diodes (LEDs) leads to increased temperature. There is a growing interest in using microstructure ionic wind pumps to regulate the chip temperature. But the ionic wind flow and thermal transfer characteristics of thin-plate electrode pumps used for cooling LED chips is unclear. This study proposes ionic wind pumps equipped with wedged and zigzag emitters to effectively manage the heat generated by high-power LED chips. Experimental investigations were conducted to analyze the electrohydrodynamic characteristics of pumps with different emitter types. A two-dimensional model with a wedged electrode and a three-dimensional model with a zigzag electrode were developed for flow distribution analysis and energy efficiency comparison. The cooling capacity of pumps with different configurations was examined. The results show that the pump equipped with a zigzag electrode exhibits improved stability in corona discharge and approximately 1.53 times higher energy efficiency compared to the pump with a wedged electrode. Moreover, the pump with the zigzag electrode covers a larger ionic wind flow area, generating a higher intensity of ionic wind. The angle between the emitter and the grounding electrode significantly affects the ionic wind flow characteristics. The optimal angle is 70° for pumps with wedged emitters and 30° for those with zigzag emitters. Both pumps can produce a steady wall jet at their optimal angle, causing significant disruption in the surrounding area. The pump with a zigzag electrode exhibits superior cooling performance and is more effective with low power consumption.

Integrated framework for battery cell state-of-health estimation in complex modules: Combining current distribution analysis and novel terminal voltage estimation L-EKF modeling

Integrated framework for battery cell state-of-health estimation in complex modules: Combining current distribution analysis and novel terminal voltage estimation L-EKF modeling

Modeling of Electric Field and Dielectrophoretic Force in a Parallel-Plate Cell Separation Device with an Electrode Lid and Analytical Formulation Using Fourier Series.

Dielectrophoresis (DEP) cell separation technology is an effective means of separating target cells which are only marginally present in a wide variety of cells. To develop highly efficient cell separation devices, detailed analysis of the nonuniform electric field's intensity distribution within the device is needed, as it affects separation performance. Here we analytically expressed the distributions of the electric field and DEP force in a parallel-plate cell separation DEP device by employing electrostatic analysis through the Fourier series method. The solution was approximated by extrapolating a novel approximate equation as a boundary condition for the potential between adjacent fingers of interdigitated electrodes and changing the underlying differential equation into a solvable form. The distributions of the potential and electric fields obtained by the analytical solution were compared with those from numerical simulations using finite element method software to verify their accuracy. As a result, it was found that the two agreed well, and the analytical solution was obtained with good accuracy. Three-dimensional fluorescence imaging analysis was performed using live non-tumorigenic human mammary (MCF10A) cells. The distribution of cell clusters adsorbed on the interdigitated electrodes was compared with the analytically obtained distribution of the DEP force, and the mechanism underlying cell adsorption on the electrode surface was discussed. Furthermore, parametric analysis using the width and spacing of these electrodes as variables revealed that spacing is crucial for determining DEP force. The results suggested that for cell separation devices using interdigitated electrodes, optimization by adjusting electrode spacing could significantly enhance device performance.

Isorauhimbine and Vinburnine as Novel 5-HT2A Receptor Antagonists From Rauwolfia serpentina for the Treatment of Insomnia: An In Silico Investigation

Objective: This study aimed to identify and delineate the antagonistic effects of phytochemicals present in Rauwolfia serpentina (Indian snakehead) on the serotonin 2A receptor (5HT2AR) for insomnia treatment. Methods: Molecular docking and molecular dynamics simulations were performed to analyze the binding affinity and stability of protein–ligand complexes. The dynamic behavior of the complexes was studied via normal mode analysis performed via the iMODS server. The blood–brain barrier permeability of the phytochemicals was hence analyzed via the Brain or IntestinaL EstimateD permeation method (BOILED-Egg). The bioactivity of phytochemicals as “g-protein coupled receptor (GPCR) ligands” was analyzed via the MolInspiration server. Lipinski’s rule of five was used as a benchmark to assess the drug likeness of the phytochemicals. The SWISS ADME server was used to analyze the physiochemical properties of the selected phytocompounds. Furthermore, the preclinical efficacy and safety of the compounds were assessed via absorption, distribution, metabolism, excretion, and toxicity (ADME/T) analysis performed via the Deep-PK and ProTox 3.0 servers. Results: Cumulative results from various computational parameters yielded isorauhimbine and vinburnine as hit compounds because they are 5HT2AR antagonists. These phytochemicals exhibited promising docking scores, and their root mean square deviation, radius of gyration, and solvent accessible surface area confirmed their stability with the target protein. The ADME/T profile and drug-likeness values of these two compounds validated their safety, efficacy, and potential as drug candidates. Conclusion: We conclude that isorauhimbine and vinburnine stand out as potential phytochemicals from R. serpentina that could potentially serve as potential antagonistic drug candidates against 5HT2AR for insomnia treatment. However, these findings need to be validated through wet lab experiments to fully elucidate their therapeutic potential against insomnia.

Analysis of Flood Damage Mitigation Effects Based on the Presence of a Rainwater-Retaining Facility Through Flood-Depth Distribution Analysis by Grid

In recent years, localized heavy rainfall due to climate change has caused increased flood damage in urban areas. To address this issue, efforts are being made to mitigate damage through the installation of a rainwater-retaining facility and improved sewer systems. Various methods have been proposed to analyze the flood mitigation effects of these measures, with commonly used approaches including the analysis of overflow volume, peak flood discharge, and flood maps. However, these methods have limited capacity to accurately assess the reduction in flood depth, which directly affects human safety and property. Additionally, the use of flood maps requires visual analysis, which makes it difficult to evaluate the reduction effects accurately. Therefore, this study proposes a new method for flood reduction using grid-based flood-depth distribution analysis. The maximum flood depth for each grid was determined using the XP-SWMM urban runoff model, and the number of grids for each 0.1-meter flood-depth interval was analyzed using a Python program. Consequently, under various rainfall scenarios and boundary conditions, the proposed analysis method enables a more quantitative assessment of flood mitigation effects by comparing the number of reduced flood-depth grids before and after the installation of the rainwater retention facility. This approach also allows for a more precise assessment of the reconstruction of flood-depth grids, which directly affects human safety and property.

Fluconazole Functionalized Copper Oxide—Chitosan Nanocomposite for Bioengineering Applications Against Human Breast Cancer Therapies

AbstractA novel nanocomposite has been developed by combining the antifungal drug fluconazole (FCZ), copper oxide nanoparticles (CuO NPs), and a chitosan (CS) matrix. This nanocomposite assessed its enhanced anticancer activity and compatibility with biological systems. The synthesis of the nanocomposite was carried out using an in situ method. Various techniques, including X‐ray diffraction (XRD), scanning electron microscopy (SEM), Fourier‐transform infrared spectroscopy (FTIR), UV‐visible spectroscopy (UV–vis), energy‐dispersive X‐ray spectroscopy (EDX), and particle size distribution (PSD) analysis were used to characterize the material comprehensively. The FCZ‐CuO‐CS nanocomposite showed enhanced antimicrobial activity against bacterial and fungal strains, which was even more pronounced than the CuO NPs. This enhanced activity is due to the collaborative effects of FCZ, CuO NPs, and CS. Additionally, the nanocomposite was tested for its potential as an anti‐cancer agent using the tetrazolium salt, 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyl tetrazolium bromide (MTT) assay on MCF‐7 breast cancer cell lines. The results demonstrated a significant improvement in its ability to inhibit the proliferation of MCF‐7 cells compared to using fluconazole alone. These results highlight the potential of the FCZ‐CuO‐CS nanocomposite as a promising therapeutic option for treating human breast cancer.

Spatio-temporal distribution and transport pathways analysis of sand and dust weather in North China

Spatio-temporal distribution and transport pathways analysis of sand and dust weather in North China

Eggshell-derived particle composites with epoxy resin for enhanced radiation shielding applications.

This study explores the development and efficacy of eggshell-derived particle composites with epoxy resin for enhanced radiation shielding applications. Eggshells, primarily composed of calcium carbonate, were processed into particles of three sizes: small, medium, and large. These particles were incorporated into epoxy resin at a 50% weight ratio and characterized using a Laser Particle Size Distribution Analyzer. Radiation shielding properties were determined using diagnostic X-ray equipment and a Radcal Accu-Gold detector, evaluating attenuation parameters such as the Half-Value Layer (HVL) and Linear Attenuation Coefficient (LAC). Mechanical testing revealed that composites with large particles exhibited the weakest performance, with a maximum force of 5674 N and stress of 52MPa. In contrast, small particle composites demonstrated superior mechanical properties, achieving a maximum force of 9125 N and stress of 97MPa. Additionally, small particle composites (S50%) displayed the highest LAC and lowest HVL, confirming their superior radiation shielding efficiency due to better dispersion and increased surface area. These findings highlight the potential of using finely ground eggshell particles to create cost-effective, environmentally friendly materials for radiation protection, underscoring the importance of particle size optimization in the development of advanced composite materials.

Statistical analysis of fitting Pareto and Weibull distributions with Benford's Law: theoretical approach and empirical evidence

This paper studies the fundamental properties of Benford's Law which investigates the distribution of the first digits' appearance within datasets. The purpose and the usefulness of the research developed within the paper are to identify additional distributions, beyond those already investigated, that conform to the Benford distribution. As a main contribution, we state and prove {with the new approach} that the Pareto distribution and {appropriate constant times Weibull density function}, under some parameter constraint, obey Benford's Law. Further, with the statistical tests and simulation method, we quantify how the fit varies as the parameters of the Pareto distribution change. As Benford's Law is one of the main used approaches for detecting data manipulations and frauds in practice, we use that methodology to consider eventual manipulations in a set of data from the financial reports of three private hospitals operating in Serbia. Moreover, we present the conformity of the Weibull distribution to Benford's Law through the analysis of real-world data, where in the Weibull distribution demonstrates a good fit, {even proof of that conformity is a known result in the literature}. By demonstrating the adherence of Benford's characteristics to the Pareto and Weibull distributions, commonly employed for modeling in various fields, those findings can be utilized in many practical studies.