Molecular Characterization and Potential Inhibitors Prediction of Protein Arginine Methyltransferase-2 in Carcinoma: An Insight from Molecular Docking, ADMET Profiling and Molecular Dynamics Simulation Studies.

Objectives: To predict and characterize the three-dimensional (3D) structure of protein arginine methyltransferase 2 (PRMT2) using homology modeling, besides, the identification of potent inhibitors for enhanced comprehension of the biological function of this protein arginine methyltransferase (PRMT) family protein in carcinogenesis.

Materials And Methods: An method was employed to predict and characterize the three-dimensional structure. The bulk of PRMTs in the PDB shares just a structurally conserved catalytic core domain.

Unveiling the role of sintering temperatures in the physical properties of Cu-Mg ferrite nanoparticles for photocatalytic application.

This research presents an explicit analysis of the effects of sintering temperature (T) on the structural, morphological, magnetic, and optical properties of CuMgFeO nanoferrites synthesized via the sol-gel method. To accomplish it, Cu-Mg ferrite NPs were sintered at temperatures ranging from 300 to 800 °C in increments of 100 with a constant holding duration of 5 h. Thermogravimetric analysis was used to observe the degradation of organic components and the thermally stable zone of the material.

Leveraging generative neural networks for accurate, diverse, and robust nanoparticle design.

Tandem neural networks for inverse design can only make single predictions, which limits the diversity of predicted structures. Here, we use conditional variational autoencoder (cVAE) for the inverse design of core-shell nanoparticles. cVAE is a type of generative neural network that generates multiple valid solutions for the same input condition.

Experimental analysis of a solar air heater using waste mild steel chips as a sensible heat storage material.

Heat storage materials improve the utility of solar air heaters (SAHs) after sunset. This study investigates an improved solar air heater (SAH) performance with baffles and waste mild steel chips as sensible heat storage (SHS) materials. Comparative experimental natural convection heat transfer studies were performed with four different improved air heater setups under similar solar radiation conditions.

Identifying the zero-dose and under-immunized children in Bangladesh: Approaches and experiences.

This paper presents and elaborates on empirical methods and approaches used to identify Zero-Dose (ZD) and Under-immunized (UI) children as well as the communities that these children reside in within Bangladesh. This paper also describes demand- and supply side-barriers that lead to children being ZD and UI in the country. Time period for the study was December 2022-May 2023.

Benzylamine promoted direct C-H arylation of arenes and heteroarenes excitation with heat or light.

Carbon-halogen bond cleavage in aryl halides through single electron transfer (SET) is a crucial step in radical-based cross-coupling reactions. Accomplishing such cleavage using an organic system without the assistance of any transition metal-based catalyst is highly challenging. In recent years, combining organic molecules and a base has served as a unique system for SET-mediated carbon-halogen bond cleavage.

Ingestion of marine debris in juvenile sea turtles in Abu Dhabi, United Arab Emirates.

Marine plastics and other debris constitute a major threat to many marine species. Over 12 million tons of plastics are estimated to reach the oceans annually, causing adverse effects on hundreds of marine species. The Arabian Gulf is a small, sub-tropical and semi-enclosed gulf with extreme environmental conditions with high potential to accumulate marine debris.

A review on advancements in feature selection and feature extraction for high-dimensional NGS data analysis.

Recent advancements in biomedical technologies and the proliferation of high-dimensional Next Generation Sequencing (NGS) datasets have led to significant growth in the bulk and density of data. The NGS high-dimensional data, characterized by a large number of genomics, transcriptomics, proteomics, and metagenomics features relative to the number of biological samples, presents significant challenges for reducing feature dimensionality. The high dimensionality of NGS data poses significant challenges for data analysis, including increased computational burden, potential overfitting, and difficulty in interpreting results.

Interconnectivity can be as important as habitat type in explaining carbon stocks in the coastal lagoons of arid regions.

Coastal blue carbon ecosystems, typically comprising interconnected habitat mosaics, are globally important pathways of carbon sequestration and play a significant role in climate change regulation and mitigation. Current coastal management strategies often rely on simplified regional carbon stock estimates, that overlook the geographical variability and intricate ecological dynamics within these ecosystems. This study adopts a seascape ecology approach to evaluate the role of multiple seascape characteristics on carbon storage in two arid region coastal lagoons.

Phenalenyl-ruthenium synergism for effectual catalytic transformations of primary amines to amides.

The synthesis of amides holds great promise owing to their impeccable contributions as building blocks for highly valued functional derivatives. Herein, we disclose the design, synthesis and crystal structure of a mixed-ligand ruthenium(II) complex, [Ru(η-Cym)(O,O-PLY)Cl], (1) where Cym = 1-isopropyl-4-methyl-benzene and O,O-PLY = deprotonated form of 9-hydroxy phenalenone (HO,O-PLY). The complex catalyzes the aerobic oxidation of various primary amines (RCHNH) to value-added amides (RCONH) with excellent selectivity and efficiency under relatively mild conditions with common organic functional group tolerance.

Multi-compartmental diversification of neutralizing antibody lineages dissected in SARS-CoV-2 spike-immunized macaques.

The continued evolution of SARS-CoV-2 underscores the need to understand qualitative aspects of the humoral immune response elicited by spike immunization. Here, we combine monoclonal antibody (mAb) isolation with deep B cell receptor (BCR) repertoire sequencing of rhesus macaques immunized with prefusion-stabilized spike glycoprotein. Longitudinal tracing of spike-sorted B cell lineages in multiple immune compartments demonstrates increasing somatic hypermutation and broad dissemination of vaccine-elicited B cells in draining and non-draining lymphoid compartments, including the bone marrow, spleen and, most notably, periaortic lymph nodes.

Gait analysis and geriatric syndromes: An association among elderly patients attending a teaching hospital of Delhi.

Background: Gait abnormalities are prevalent, affecting a substantial portion of the elderly population, and leading to mobility limitations, reduced quality of life, falls, hospitalizations, and premature death.

Objectives: The study aims to assess gait patterns among individuals aged 75 years and above attending the geriatric OPD of a tertiary care hospital in New Delhi and evaluate their association with various geriatric syndromes.

Materials And Methods: This cross-sectional study, conducted at a tertiary care hospital in Delhi, from May 2019 to November 2021, involved 100 participants aged 75 and above.

3D oxygen vacancy distribution and defect-property relations in an oxide heterostructure.

Oxide heterostructures exhibit a vast variety of unique physical properties. Examples are unconventional superconductivity in layered nickelates and topological polar order in (PbTiO)/(SrTiO) superlattices. Although it is clear that variations in oxygen content are crucial for the electronic correlation phenomena in oxides, it remains a major challenge to quantify their impact.

Exploring the dynamics of monkeypox transmission with data-driven methods and a deterministic model.

Introduction: Mpox (formerly monkeypox) is an infectious disease that spreads mostly through direct contact with infected animals or people's blood, bodily fluids, or cutaneous or mucosal lesions. In light of the global outbreak that occurred in 2022-2023, in this paper, we analyzed global Mpox univariate time series data and provided a comprehensive analysis of disease outbreaks across the world, including the USA with Brazil and three continents: North America, South America, and Europe. The novelty of this study is that it delved into the Mpox time series data by implementing the data-driven methods and a mathematical model concurrently-an aspect not typically addressed in the existing literature.

Novel peptide inhibitor of human tumor necrosis factor-α has antiarthritic activity.

The inhibition of tumor necrosis factor (TNF)-α trimer formation renders it inactive for binding to its receptors, thus mitigating the vicious cycle of inflammation. We designed a peptide (PIYLGGVFQ) that simulates a sequence strand of human TNFα monomer using a series of in silico methods, such as active site finding (Acsite), protein-protein interaction (PPI), docking studies (GOLD and Flex-X) followed by molecular dynamics (MD) simulation studies. The MD studies confirmed the intermolecular interaction of the peptide with the TNFα.

Impact of Methods of Preparation on Mechanical Properties, Dissolution Behavior, and Tableting Characteristics of Ibuprofen-Loaded Amorphous Solid Dispersions.

This study aims to improve the biopharmaceutical, mechanical, and tableting properties of a poorly soluble drug, ibuprofen (IBP), by preparing amorphous solid dispersion (ASD) followed by a sustained-release tablet formulation. A suitable polymer to develop an ASD system was chosen by utilizing the apparent solubility of IBP in various polymer solutions. ASDs containing various ratios of IBP and selected polymer were prepared by the melt fusion (MF) method.

Stimulated Full-Thickness Cutaneous Wound Healing with Bioactive Dressings of Zinc and Cobalt Ion-Doped Bioactive Glass-Coated Eggshell Membranes in a Diabetic Rabbit Model.

Eggshell membrane-based biomedical applications have recently received great attention for their wound-healing properties. However, there are limited studies on diabetic wound healing. In this regard, we devised four types of composite eggshell membrane mats with nanoscale coatings of bioactive glass/Zn/Co-doped bioactive glass (ESM + BAG, ESM + ZnBAG, ESM + CoBAG, and ESM + ZnCoBAG) as wound-dressing materials for chronic nonhealing diabetic wounds.

Structural basis of broad SARS-CoV-2 cross-neutralization by affinity-matured public antibodies.

Descendants of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) Omicron variant now account for almost all SARS-CoV-2 infections. The Omicron variant and its sublineages have spike glycoproteins that are highly diverged from the pandemic founder and first-generation vaccine strain, resulting in significant evasion from monoclonal antibody therapeutics and vaccines. Understanding how commonly elicited antibodies can broaden to cross-neutralize escape variants is crucial.

Disparities in COVID-19 vaccine uptake among rural hard-to-reach population and urban high-risk groups of Bangladesh.

Background: Vaccination has been an indispensable step in controlling the coronavirus disease pandemic. In early 2021, Bangladesh launched a mass vaccination campaign to boost the COVID-19 vaccination rate when doses were available and immunized millions in the country. Although deemed a success, disparities became conspicuous in vaccination coverage across population of different socioeconomic background.

Enhanced read resolution in reconfigurable memristive synapses for Spiking Neural Networks.

The synapse is a key element circuit in any memristor-based neuromorphic computing system. A memristor is a two-terminal analog memory device. Memristive synapses suffer from various challenges including high voltage, SET or RESET failure, and READ margin issues that can degrade the distinguishability of stored weights.

Prevalence of and factors associated with zero-dose and under-immunized children in selected areas of Bangladesh: Findings from Lot Quality Assurance Sampling Survey.

Background: In the era of Gavi's 5.0 vision of "leaving no one behind with immunization", childhood routine vaccination in missed communities is considered as a priority concern. Despite having a success story at the national level, low uptake of immunization is still persistent in selected pocket areas of Bangladesh.