Displacement-pressure biparametrically regulated softness sensory system for intraocular pressure monitoring.

High intraocular pressure (IOP) is one of the high-risk pathogenic factors of glaucoma. Existing methods of IOP measurement are based on the direct interaction with the cornea. Commercial ophthalmic tonometers based on snapshot measurements are expensive, bulky, and their operation requires trained personnel. Theranostic contact lenses are easy to use, but they may block vision and cause infection. Here, we report a sensory system for IOP assessment that uses a soft indentor with two asymmetrically deployed iontronic flexible pressure sensors to interact with the eyelid-eyeball in an eye-closed situation. Inspired by human fingertip assessment of softness, the sensory system extracts displacement-pressure information for soft evaluation, achieving high accuracy IOP monitoring (>96%). We further design and custom-make a portable and wearable ophthalmic tonometer based on the sensory system and demonstrate its high efficacy in IOP screening. This sensory system paves a way towards cost-effective, robust, and reliable IOP monitoring.

Emerging trends and challenges in polysaccharide derived materials for wound care applications: A review.

Polysaccharides are favourable and promising biopolymers for wound care applications due to their abundant natural availability, low cost and excellent biocompatibility. They possess different functional groups, such as carboxylic, hydroxyl and amino, and can easily be modified to obtain the desirable properties and various forms. This review systematically analyses the recent progress in polysaccharides derived materials for wound care applications, emphasizing the most commonly used cellulose, chitosan, alginate, starch, dextran and hyaluronic acid derived materials. The distinctive attributes of each polysaccharide derived wound care material are discussed in detail, along with their different forms, i.e., films, membranes, sponges, nanoemulsions, nanofibers, scaffolds, nanocomposites and hydrogels. The processing methods to develop polysaccharides derived wound care materials are also summarized. In the end, challenges related to polysaccharides derived materials in wound care management are listed, and suggestions are given to expand their utilization in the future to compete with conventional wound healing materials.

Treatment of marble industry wastewater by Brassica napus (L.) under oxalic acid amendment: efficacy as fodder and carcinogenic risk assessment.

In the present study, Brassica napus, a food plant, was grown for phytoextraction of selected heavy metals (HMs) from marble industry wastewater (WW) under oxalic acid (OA) amendment. The hydroponic experiment was performed under different combination of WW with OA in complete randomized design. Photosynthetic pigments and growth reduction were observed in plants treated with WW alone amendments. The combination of OA in combination with WW significantly enhanced the growth of plants along with antioxidant enzyme activities compared with WW-treated-only plants. HM stress alone enhanced the hydrogen peroxide, electrolyte leakage, and malondialdehyde contents in plants. OA-treated plants were observed with enhanced accumulation of cadmium (Cd), copper (Cu), and lead (Pb) concentrations in the roots and shoots of B. napus. The maximum concentration and accumulation of Cd in root, stem, and leaves was increased by 25%, 30%, and 30%; Cu by 42%, 24%, and 17%; and Pb by 45%, 24%, and 43%, respectively, under OA amendment. Average daily intake and hazard quotient (HQ) were calculated for males, females, and children in two phases of treatments in phytoremediation of metals before and after accumulation into B. napus leaves and stems. HQ of metals in the leaves and stem was < 1 before metal accumulation, whereas > 1 was observed after HM accumulation for all males, females, and children. Similarly, the hazard index of the three study types was found > 1. It was observed that the estimated excess lifetime cancer risk was of grade VII (very high risk), not within the accepted range of 1 × 10-4 to 1 × 10-6. Based on the present study, the increased levels of HMs up to carcinogenicity was observed in the B. napus which is not safe to be consumed later as food.

Exploring relationship of poor sleeping habits with prenatal stress among pregnant women in Pakistan: a cross-sectional study.

OBJECTIVE: Pregnancy is a complex phenomenon accompanied by biological, physiological and psychosocial changes for a mother. It is also regarded as a stressful life event where a woman's role, identity and interpersonal relationships are restructured. The present study from Pakistan explores the association of sleep quality and poor sleeping habits with prenatal stress using Pittsburgh Sleep quality Index. RESULTS: There were a total of 516 women (mean age = 29.82 years), with more than half reporting poor sleep quality. Ethnically, a majority (395, 76.6%) were natives of the Punjab province while rest were non-natives. A high percentage of respondents reported poor subjective sleep quality (22.1%), sleep latency (44.1%), habitual sleep efficiency (27.5%), sleep disturbance (30.1%), use of medications (7.1%) and daytime dysfunction (29.5%). According to logistic regression analysis, respondents with poor sleep quality were 2.24 (95% CI = 1.55-3.22, P < 0.001) times more likely to have high stress levels (P < 0.001).

A numerical approach to optimize the performance of HTL-free carbon electrode-based perovskite solar cells using organic ETLs.

Carbon electrode-based perovskite solar cells (c-PSCs) without a hole transport layer (HTL) have obtained a significant interest owing to their cost-effective, stable, and simplified structure. However, their application is limited by low efficiency and the prevalence of high-temperature processed electron transport layer (ETL), e.g. TiO2, which also has poor optoelectronic properties, including low conductivity and mobility. In this study, a series of organic materials, namely PCBM ((Park et al., 2023; Park et al., 2023) [6,6]-phenyl-C61-butyric acid methyl ester, C72H14O2), Alq3 (Al(C9H6NO)3), BCP (2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline, C26H20N2), C60, ICBA (indene-C60 bisadduct, C78H16) and PEIE (poly (ethylenimine) ethoxylated, (C37H24O6N2)n) have been numerically analyzed in SCAPS-1D solar simulator to explore alternative potential ETL materials for HTL-free c-PSCs. The presented device has FTO/ETL/CH3NH3PbI3/carbon structure, and its performance is optimized based on significant design parameters. The highest achieved PCEs for PCBM, Alq3, BCP, C60, ICBA, and PEIE-based devices are 22.85%, 19.08%, 20.99%, 25.51%, 23.91%, and 22.53%, respectively. These PCEs are obtained for optimum absorber thickness for each case, with an acceptor concentration of 1.0 × 1017 cm-3 and defect density of 2.5 × 1013 cm-3. The C60-based cell has been found to outperform with device parameters as Voc of 1.29 V, Jsc of 23.76 mA/cm2, and FF of 82.67%. As the design lacks stability when only organic materials are employed, each of the presented devices have been analyzed by applying BiI3, LiF, and ZnO as protective layers with the performances not compromised. We believe that our obtained results will be of great interest in developing stable and efficient HTL-free c-PSCs.

High Entropy Alloys Enable Durable and Efficient Lithium-Mediated CO2 Redox Reactions.

Designing electrocatalysts with high activity and durability for multistep reduction and oxidation reactions is challenging. High-entropy alloys (HEAs) are intriguing due to their tunable geometric and electronic structure through entropy effects. However, understanding the origin of their exceptional performance and identifying active centers is hindered by the diverse microenvironment in HEAs. Herein, NiFeCoCuRu HEAs designed with an average diameter of 2.17 nm, featuring different adsorption capacities for various reactants and intermediates in Li-mediated CO2 redox reactions, are introduced. The electronegativity-dependent nature of NiFeCoCuRu HEAs induces significant charge redistribution, shifting the d-band center closer to Fermi level and forming highly active clusters of Ru, Co, and Ni for Li-based compounds adsorptions. This lowers energy barriers and simultaneously stabilizes *LiCO2 and LiCO3+CO intermediates, enhancing the efficiency of both CO2 reduction and Li2CO3 decomposition over extended periods. This work provides insights into specific active site interactions with intermediates, highlighting the potential of HEAs as promising catalysts for intricate CO2 redox reactions.

An integrated network pharmacology approach to discover therapeutic mechanisms of Commiphora wightii for the treatment of Bell's palsy.

Bell's palsy (BP) can result in facial paralysis. Inflammation or injury to the cranial nerves that regulate the facial muscles is primarily responsible for that disease. Commiphora wightii remains recognized as a cure for a few human ailments. This study focused on therapeutic phenomena of C. wightii for the treatment of Bell's palsy, utilizing the network drug discovery and molecular docking techniques. Active biological constituents of C. wightii were retrieved from literature and independent databases. Potential therapeutic targets (431) of 13 bioactive phytochemicals were fetched via SwissTargetPrediction tool. Putative intersecting targets (855) of Bell's palsy were computed through the DisGeNET and GeneCards datasets. Subsequently, by the analysis of potential shared targets (87) of C. wightii and Bell's palsy, a Venn diagram was drawn. DAVID database was used to evaluate gene functional annotations and enriched pathways that are involved in Bell's palsy. STRING database was used for generating the protein-protein relationship complex. Visual presentations of the interactions of potential targets to active chemical constituents were done by the Cytoscape. Whereas, the conformational research sorted out 10 key targets through the protein-protein interactions network. Moreover, the capacity of therapeutic ingredients to interact with a target inhibiting Bell's palsy was confirmed by molecular docking, which might ratify the findings of network pharmacology. In the molecular complex of AKT1-cholesterol, a 100-ns simulation unveiled a graceful stability, with a minimal 0.167 Å ligand shift and resilient hydrogen bonds (ASN54 and SER205). The final 20 ns showcased a P1 motif pirouette, gracefully forming aromatic bonds with H165 and W186, underscoring the complex's dynamic finesse. This study evaluated compound-target interactions and their impact on disease-related genes. It revealed that five genes (AKT1, TNF, MAPK3, EGFR and SRC) of C. wightii might be useful therapeutic targets for the treatment of Bell's palsy, as well as helping in lowering down the blood pressure.Communicated by Ramaswamy H. Sarma.

Frequency and types of pre-analytical errors in a clinical laboratory of a specialized healthcare hospital.

Background & Objective: The pre-analytical phase, encompassing all preparatory steps leading to the analytical process, represents a critical stage prone to laboratory errors. An assessment of the occurrence and categories of laboratory errors, specifically within the pre-analytical phase of laboratory procedures, can guide in taking timely actions for rectifying errors responsible for damage and loss of samples. This study aimed to assess the frequency and types of pre-analytical errors within a clinical laboratory at the Multan Institute of Kidney Diseases over two years. Methods: This research took place at the Multan Institute of Kidney Diseases. Data was extracted from the hospital laboratory records of the period from 1st January 2021 to 31st December 2022. After data compilation, a retrospective cross-sectional methodology was adopted to assess frequency and types of pre-analytical errors within a clinical laboratory. The records underwent a thorough examination to identify pre-analytical errors, which were classified according to their type and occurrence rate. Results: Among the 254810 specimens received during the data collection period, a total of 1,722 specimens (0.67% of all collected samples) were found unsuitable for further processing. Amongst the rejected specimens, 718 (41.6%) displayed indications of hemolysis, 388 (22.5%) exhibited clotting, 217 (12.6%) had an insufficient volume and the remaining specimens fell into other miscellaneous categories such as insufficient quantity, unlabeled samples etc. Conclusion: The overall percentage of sample rejections in the laboratory was 0.67%. This study provided valuable insights into various reasons, and causes that require improvements to enhance the efficiency and quality of laboratory processes.

Effects of different extenders, storage temperatures, and antioxidant supplementation on chilled semen quality: a review.

The successful preservation of ram semen is essential to promote genetic variability, ensure semen transportation, and inseminate multiple ewes. Currently, either animal or plant-based lipoprotein-based extenders are used for semen preservation. Animal product-based extenders include milk and egg yolk, while soybean lecithin is a plant-based extender. Although extenders containing products of animal origin better preserve the quality of chilled semen, the in vivo efficacy after 24 h of storage is still of great concern. Storage temperature is another important and effective factor in preserving sperm quality, whereby different storage temperatures are adopted to enhance the storage life of sperm. Low temperatures (4-5 °C) better preserve sperm quality for a longer duration than high temperatures (15, 20, and 25 °C). Moreover, antioxidant supplementation has a positive impact on sperm quality during liquid storage. The current review summarizes the outcomes of various extenders, different storage temperatures, and antioxidant supplementation on the liquid storage of ram sperm.

Synthesis of anti-depressant molecules via metal-catalyzed reactions: a review.

Depression is one of the most mutilating conditions in the world today. It has been difficult to make advancements toward better, more effective therapies since the introduction of antidepressant medicines in the late 1950s. One important field of medicinal chemistry is the synthesis of antidepressant molecules through metal-catalyzed procedures. The important role that different transition metals, including iron, nickel, ruthenium, and others, serve as catalysts in the synthesis of antidepressants is examined in this review. Key structural motifs included in antidepressant drugs such as tricyclic antidepressants (TCAs), selective serotonin reuptake inhibitors (SSRIs), and others can be synthesized in a variety of effective ways using metal-catalyzed steps. This review examines current developments in the catalytic synthesis of antidepressants and their potential application over the previous thirteen years.

A novel homozygous TSGA10 missense variant causes acephalic spermatozoa syndrome in a Pakistani family.

BACKGROUND: Acephalic spermatozoa syndrome is a rare type of teratozoospermia causing male infertility due to detachment of the sperm head and flagellum, which precludes fertilization potential. Although loss-of-function variations in several genes, including TSGA10, have been associated with acephalic spermatozoa syndrome, the genetic cause of many cases remains unclear. RESULTS: We recruited a Pakistani family with two infertile brothers who suffered from acephalic spermatozoa syndrome. Through whole-exome sequencing (WES) followed by Sanger sequencing, we identified a novel missense variant in TSGA10 (c.1112T > C, p. Leu371Pro), which recessively co-segregated with the acephalic spermatozoa syndrome within this family. Ultrastructural analyses of spermatozoa from the patient revealed that 98% of flagellar cross-sections displayed abnormal axonemal ultrastructure, in addition to the head-flagellum detachment. Real-time quantitative PCR analysis revealed almost no detectable TSAG10 mRNA and western blot analysis also failed to detect TSAG10 protein in patient's sperm samples while TSGA10 expression was clearly detected in control samples. Consistently, immunofluorescence analysis demonstrated the presence of TSGA10 signal in the midpiece of sperm from the control but a complete absence of TSGA10 signal in sperm from the patient. CONCLUSION: Altogether, our study identifies a novel TSGA10 pathogenic variant as a cause of acephalic spermatozoa syndrome in this family and provides information regarding the clinical manifestations associated with TSGA10 variants in human.

RéSUMé: CONTEXTE: Le syndrome des spermatozoïdes acéphaliques est un type rare de tératozoospermie provoquant une infertilité masculine en raison du détachement de la tête et du flagelle des spermatozoïdes, ce qui exclut une potentielle fécondation. Bien que des variations de perte de fonction dans plusieurs gènes, y compris TSGA10, aient été associées au syndrome des spermatozoïdes acéphaliques, la cause génétique de nombreux cas reste incertaine. RéSULTATS: Nous avons recruté une famille pakistanaise avec deux frères infertiles qui souffraient du syndrome des spermatozoïdes acéphaliques. Grâce au séquençage de l'exome entier (WES) suivi du séquençage Sanger, nous avons identifié un nouveau variant faux-sens dans TSGA10 (c.1112T > C, p. Leu371Pro), qui co-ségréguait de manière récessive avec le syndrome des spermatozoïdes acéphaliques au sein de cette famille. Les analyses ultrastructurales des spermatozoïdes des patients ont révélé que 98% des coupes transversales flagellaires présentaient une ultrastructure axonémiques anormales, en plus du décollement tête-flagelle. L'analyse quantitative par PCR en temps réel n'a révélé presque aucun ARNm TSAG10 détectable; l'analyse par transfert Western n'a pas non plus réussi à détecter la protéine TSAG10 dans les échantillons de sperme des patients, tandis que l'expression de TSGA10 a été clairement détectée dans les échantillons du témoin. De manière cohérente, l'analyse par immunofluorescence a démontré la présence du signal TSGA10 dans la partie médiane des spermatozoïdes du témoin, mais une absence totale de signal TSGA10 chez ceux des patients. CONCLUSION: Dans l'ensemble, notre étude identifie un nouveau variant pathogène de TSGA10 comme cause du syndrome des spermatozoïdes acéphaliques dans cette famille et fournit des informations concernant les manifestations cliniques associées aux variants de TSGA10 chez l'homme. MOTS-CLéS: Infertilité, TSGA10, Spermatozoïdes acéphaliques, Variations faux-sens.

Bio-net dataset: AI-based diagnostic solutions using peripheral blood smear images.

Peripheral blood smear examination is one of the basic steps in the evaluation of different blood cells. It is a confirmatory step after an automated complete blood count analysis. Manual microscopy is time-consuming and requires professional laboratory expertise. Therefore, the turn-around time for peripheral smear in a health care center is approximately 3-4 hours. To avoid the traditional method of manual counting under the microscope a computerized automation of peripheral blood smear examination has been adopted, which is a challenging task in medical diagnostics. In recent times, deep learning techniques have overcome the challenges associated with human microscopic evaluation of peripheral smears and this has led to reduced cost and precise diagnosis. However, their application can be significantly improved by the availability of annotated datasets. This study presents a large customized annotated blood cell dataset (named the Bio-Net dataset from healthy individuals) and blood cell detection and counting in the peripheral blood smear images. A mini-version of the dataset for specialized WBC-based image processing tasks is also equipped to classify the healthy and mature WBCs in their respective classes. An object detection algorithm called You Only Look Once (YOLO) with a refashion disposition has been trained on the novel dataset to automatically detect and classify blood cells into RBCs, WBCs, and platelets and compare the results with other publicly available datasets to highlight the versatility. In short the introduction of the Bio-Net dataset and AI-powered detection and counting offers a significant potential for advancement in biomedical research for analyzing and understanding biological data.

Spin-Selective Angular Dispersion Control in Dielectric Metasurfaces for Multichannel Meta-Holographic Displays.

Angle-dependent next-generation displays have potential applications in 3D stereoscopic and head-mounted displays, image combiners, and encryption for augmented reality (AR) and security. Metasurfaces enable such exceptional functionalities with groundbreaking achievements in efficient displays over the past decades. However, limitations in angular dispersion control make them unfit for numerous nanophotonic applications. Here, we propose a spin-selective angle-dependent all-dielectric metasurface with a unique design strategy to manifest distinct phase information at different incident angles of light. As a proof of concept, the phase masks of two images are encoded into the metasurface and projected at the desired focal plane under different angles of left circularly polarized (LCP) light. Specifically, the proposed multifunctional metasurface generates two distinct holographic images under LCP illumination at angles of +35 and -35°. The presented holographic displays may provide a feasible route toward multifunctional meta-devices for potential AR displays, encrypted imaging, and information storage applications.

Pathological effects of feeding aflatoxin-contaminated feed on immune status and reproductive performance of juvenile white leghorn males and its mitigation with ∝-tocopherol and Moringa oleifera.

This study was planned to detect the adverse pathological consequences of aflatoxin B1 in White Leghorn (WLH) layer breeder males. Eight-week-old male layer cockerels were separated into six experimental categories: A group was kept as negative control, offered with normal feed only; group B was fed with 400 ppb amount of aflatoxin, while groups F and D fed with normal feed and supplemented with vitamin E 100 ppm and 1% Moringa oleifera, respectively, whereas groups E and C were fed with 400 ppb aflatoxin containing feed and ameliorated with vitamin E 100 ppm and 1% Moringa oleifera, respectively. This study was continued for 2 months and immunologic disorders and reproductive parameters were observed during the trial. To find out immunological status lymphoproliferative response to phytohemagglutinin-P (PHA-P), antibody titers against sheep red blood cells (SRBCs) and carbon clear assay were performed by collecting samples from five birds from each group. The whole data was measured by ANOVA test, and group means were compared by DMR test by using M-Stat C software. Regarding the reproductive status, spermatogenesis, blood testosterone level, testes weight, testes histology, sperm motility, and morphology were negatively affected by aflatoxins, but these deviations positively ameliorated by vitamin E and Moringa. Vitamin E and Moringa found advantageous in boosting the immune status of affected bird. All the immunological parameters including antibody titers against sheed red blood cells, lymphoproliferative response to avian tuberculin and phagocytic potential of macrophages were suppressed by AFB1 however in control, Moringa and vitamin E groups these immunological responses were significantly higher.

End-to-end validation of fiducial tracking accuracy in robotic radiosurgery using MRI-only simulation imaging.

BACKGROUND: Image-guided radiation-therapy (IGRT)-based robotic radiosurgery using magnetic resonance imaging (MRI)-only simulation could allow for improved target definition with highly conformal radiotherapy treatments. Fiducial marker (FM)-based alignment is used with robotic radiosurgery treatments of sites such as the prostate because it aids in accurate target localization. Synthetic CT (sCT) images are generated in the MRI-only workflow but FMs used for IGRT appear as signal voids in MRIs and do not appear in MR-generated sCTs, hindering the ability to use sCTs for fiducial-based IGRT. PURPOSE: In this study we evaluate the fiducial tracking accuracy for a novel artificial fiducial insertion method in sCT images that allows for fiducial marker tracking in robotic radiosurgery, using MRI-only simulation imaging (MRI-only workflow). METHODS: Artificial fiducial markers were inserted into sCT images at the site of the real marker implantation as visible in MRI. Two phantoms were used in this study. A custom anthropomorphic pelvis phantom was designed to validate the tracking accuracy for a variety of artificial fiducials in an MRI-only workflow. A head phantom containing a hidden target and orthogonal film pair inserts was used to perform end-to-end tests of artificial fiducial configurations inserted in sCT images. The setup and end-to-end targeting accuracy of the MRI-only workflow were compared to the computed tomography (CT)-based standard. Each phantom had six FMs implanted with a minimum spacing of 2 cm. For each phantom a bulk-density sCT was generated, and artificial FMs were inserted at the implantation location. Several methods of FM insertion were tested including: (1) replacing HU with a fixed value (10000HU) (voxel-burned); (2) using a representative fiducial image derived from a linear combination of fiducial templates (composite-fiducial); (3) computationally simulating FM signal voids using a digital phantom containing FMs and inserting the corresponding signal void into sCT images (simulated-fiducial). All tests were performed on a CyberKnife system (Accuray, Sunnyvale, CA). Treatment plans and digital-reconstructed-radiographs were generated from the original CT and sCTs with embedded fiducials and used to align the phantom on the treatment couch. Differences in the initial phantom alignment (3D translations/rotations) and tracking parameters between CT-based plans and sCT-based plans were analyzed. End-to-end plans for both scenarios were generated and analyzed following our clinical protocol. RESULTS: For all plans, the fiducial tracking algorithm was able to identify the fiducial locations. The mean FM-extraction uncertainty for the composite and simulated FMs was below 48% for fiducials in both the anthropomorphic pelvis and end-to-end phantoms, which is below the 70% treatment uncertainty threshold. The total targeting error was within tolerance (<0.95 mm) for end-to-end tests of sCT images with the composite and head-on simulated FMs (0.26, 0.44, and 0.35 mm for the composite fiducial in sCT, head-on simulated fiducial in sCT, and fiducials in original CT, respectively. CONCLUSIONS: MRI-only simulation for robotic radiosurgery could potentially improve treatment accuracy and reduce planning margins. Our study has shown that using a composite-derived or simulated FM in conjunction with sCT images, MRI-only workflow can provide clinically acceptable setup accuracy in line with CT-based standards for FM-based robotic radiosurgery.

Optimal therapy for HIV infection containment and virions inhibition.

Prevention and early diagnosis are the best and most effective ways for defeating HIV. There is still no vaccine, but treatments with antiretroviral drugs are now available which, in many cases, allow the infection to become chronic. However, research has highlighted side effects of these drugs and the fact that a flare-up of the infection occurs if the therapy is stopped. In recent years, the presence of virus reserves located in various parts of the body, including the brain, has been hypothesized. The possibility of controlling the infection of healthy cells and of interrupting the proliferation of virions inside the brain has been studied, proposing optimal control strategies.

Antidiabetic Activity, Molecular Docking, and ADMET Properties of Compounds Isolated from Bioactive Ethyl Acetate Fraction of Ficus lutea Leaf Extract.

Diabetes contributes to the rising global death rate. Despite scientific advancements in understanding and managing diabetes, no single therapeutic agent has been identified to effectively treat and prevent its progression. Consequently, the exploration for new antidiabetic therapeutics continues. This study aimed to investigate the antidiabetic bioactive ethyl acetate fraction of F. lutea at the molecular level to understand the molecular interactions and ligand-protein binding. To do this, the fraction underwent column chromatography fractionation to yield five compounds: lupeol, stigmasterol, α-amyrin acetate, epicatechin, and epiafzelechin. These compounds were evaluated in vitro through α-glucosidase inhibition and glucose utilization assays in C2C12 muscle and H-4-11-E liver cells using standard methods. In silico analysis was conducted using molecular docking and ADMET studies. Epicatechin exhibited the most potent α-glucosidase inhibition (IC50 = 5.72 ± 2.7 µg/mL), while epiafzelechin stimulated superior glucose utilization in C2C12 muscle cells (33.35 ± 1.8%) and H-4-11-E liver cells (46.7 ± 1.2%) at a concentration of 250 µg/mL. The binding energies of the isolated compounds for glycogen phosphorylase (1NOI) and α-amylase (1OSE) were stronger (<-8.1) than those of the positive controls. Overall, all tested compounds exhibited characteristics indicative of their potential as antidiabetic agents; however, toxicity profiling predicted epiafzelechin and epicatechin as better alternatives. The ethyl acetate fraction and its compounds, particularly epiafzelechin, showed promise as antidiabetic agents. However, further comprehensive studies are necessary to validate these findings.

Design and Exploration of Benzene Like Azobis Triazoles for Long-range Push-Pull Photo-Switching Attributes.

This research paper presents a comprehensive study on the design and photovoltaic parameters of azobenzene type 24 photo switches (PSs) of triazole by density functional theory (DFT). The focus was on investigating how to create a long-range push-pull effect of different substituents on the PS properties for their application in photovoltaics by further substituent decoration. Their range of values for the maximum wavelength (λmax) ranged 315-556 nm while their HOMO-LUMO energies (Egaps) were 0.57-6.35eV. The stability of the PS was evaluated by measuring hardness (η) and softness (σ) values. Additionally, photovoltaic parameters such as open-circuit voltage (Voc), short-circuit current density (Jsc), fill factor (FF), and maximum power (Pmax) were calculated to assess the performance of the PS as photovoltaic materials. The results revealed that PSs 6 exhibited promising photovoltaic parameters to include Voc values ranging from 0.4-1.63eV, FF values ranging from 0.5438-0.929, Jsc values ranging from 19.27-50.75 mA/cm2, and Pmax values ranging from 14.72-75.91W. This indicates its potential as an efficient light-harvesting material for photovoltaic applications. Moreover, this study presents a pioneering investigation on the correlation between rotational velocity (R) and Mayer bond index (MBI) for the first time. The findings revealed a significant correlation between R and MBI, providing valuable insights into the structural dynamics of the PS. This novel finding opens up new avenues for understanding the structural dynamics of PS and their potential applications in various fields, including photovoltaics. The study provides valuable insights into the structure-property relationships of azobenzene-based PS and their suitability for photovoltaic devices. Further investigations are warranted to optimize the design of the PS, enhance their photovoltaic performance, and explore the underlying mechanisms of the correlation between R and MBIs.

Potential Utilization of Phenolic Acid Compounds as Anti-Inflammatory Agents through TNF-α Convertase Inhibition Mechanisms: A Network Pharmacology, Docking, and Molecular Dynamics Approach.

Inflammation is a dysregulated immune response characterized by an excessive release of proinflammatory mediators, such as cytokines and prostanoids, leading to tissue damage and various pathological conditions. Natural compounds, notably phenolic acid phytocompounds from plants, have recently garnered substantial interest as potential therapeutic agents to bolster well-being and combat inflammation recently. Based on previous research, the precise molecular mechanism underlying the anti-inflammatory activity of phenolic acids remains elusive. Therefore, this study aimed to predict the molecular mechanisms underpinning the anti-inflammatory properties of selected phenolic acid phytocompounds through comprehensive network pharmacology, molecular docking, and dynamic simulations. Network pharmacology analysis successfully identified TNF-α convertase as a potential target for anti-inflammatory purposes. Among tested compounds, chlorogenic acid (-6.90 kcal/mol), rosmarinic acid (-6.82 kcal/mol), and ellagic acid (-5.46 kcal/mol) exhibited the strongest binding affinity toward TNF-α convertase. Furthermore, phenolic acid compounds demonstrated molecular binding poses similar to those of the native ligand, indicating their potential as inhibitors of TNF-α convertase. This study provides valuable insights into the molecular mechanisms that drive the anti-inflammatory effects of phenolic compounds, particularly through the suppression of TNF-α production via TNF-α convertase inhibition, thus reinforcing their anti-inflammatory attributes.