Molecular dynamics simulations to decipher the hotspots at the allosteric site of human 5-lipoxygenase.

Human 5-lipoxygenase (LOX) is a non-heme, Fe-containing LOX which catalyses the conversion of arachidonic acid (AA) to leukotriene A (LTA). LTA is subsequently converted to cysteinyl-LTs and LTB that cause bronchoconstriction and act as chemotactic and chemokinetic agent on human leukocytes, respectively. Leukotrienes play significant roles in inflammation in asthma, cardiovascular diseases, allergic rhinitis, atopic dermatitis, inflammatory bowel disease, rheumatoid arthritis, psoriasis and many more.

Identification of Factors Influencing Donor-Derived Cell-Free DNA Levels up to One Year After Kidney Transplant.

Donor-derived cell-free DNA (dd-cfDNA) in the peripheral blood of allograft recipients has shown to early identify allograft injury. In this study, we assessed the factors that influence the amount of circulating dd-cfDNA during the first month postkidney transplant as well as its longitudinal trend. A consecutive series of 98 adult kidney transplant recipients at a single center between July 2018 and January 2020 were included in this study.

Biocompatible 2D Material Inks Enabled by Supramolecular Chemistry: From Synthesis to Applications.

ConspectusThe emergence of two-dimensional (2D) materials, such as graphene, transition-metal dichalcogenides (TMDs), and hexagonal boron nitride (h-BN), has sparked significant interest due to their unique physicochemical, optical, electrical, and mechanical properties. Furthermore, their atomically thin nature enables mechanical flexibility, high sensitivity, and simple integration onto flexible substrates, such as paper and plastic.The surface chemistry of a nanomaterial determines many of its properties, such as its chemical and catalytic activity.

Accumulation of Microplastics and Potentially Toxic Elements in Plant Leaves Along an Urbanization Gradient in Bangladesh.

Potentially toxic elements (PTEs) and microplastics (MPs) in the atmosphere raise widespread apprehension due to their association with the ecosystem and public health. The accumulation of airborne MPs and PTEs was analyzed in leaves, and the Pollution Index (PI) was calculated along an industrial, residential, and rural gradient in Bangladesh. Only polyethylene terephthalate (PET) was found in the highest concentration in industrial areas compared to other areas.

Infants of diabetic mothers: epidemiology, pathophysiology, fetal heartassessment, structural and functional heart consequences: A narrative review.

Infants of diabetic mothers are neonates born to a woman who had periodic hyperglycaemia during pregnancy. Consequently, infants of diabetic mothers are at higher risks of illness besides morbidity and mortality due to teratogenic effects on the fetal cardiovascular system, causing most frequent CHDs. The primary purpose of this review is to present, on this topic, a better-comprehended review covering pertinent material and data to be informed of severe risks to a newborn's cardiac system and function.

Unveiling the Role of Human PER3 Gene Polymorphism (rs57875989) as a Potential Risk Factor in Fibromyalgia Syndrome Patients.

Purpose Fibromyalgia syndrome (FMS) presents a chronic pain condition affecting muscles and joints. Investigating circadian rhythms' disruption, integral to physiological responses, this study delves into the potential impact of  gene polymorphism (rs57875989) on FMS pathogenesis. Methods In this study, we investigated gene polymorphism in 100 FMS patients and an equal number of control individuals.

Psoralidin acts as a dual protease inhibitor against PL and M of SARS-CoV-2.

The emergence of new coronavirus variants and concerns about vaccine effectiveness against these novel variants emphasize the need for broad-spectrum therapeutics targeting conserved coronaviral non-structural proteins. Accordingly, a virtual library of 178 putative inhibitors targeting SARS-CoV-2 Papain-like protease (PL) was compiled through a systematic review of published literature and subsequently screened using molecular docking. Selected hits were analyzed for protease inhibitory activities, binding strength, and antiviral activities against HCoV229E-based surrogate system and subsequently against SARS-CoV-2 for validation.

Relationship between functional independence and community integration of people with spinal cord injury in Bangladesh.

Design: Prospective, cross-sectional study.

Objectives: To determine the functional outcome and home and social integration of people who had spinal cord injury and completed their inpatient rehabilitation.

Setting: Centre for the Rehabilitation of the Paralysed (CRP), Bangladesh.

Role of pH in Modulating RNA-Protein Interactions in TRBP2-dsRBD2: An Interplay between Conformational Dynamics and Electrostatic Interactions.

Understanding RNA-protein interactions is crucial for uncovering the mechanisms of cellular processes and can provide insights into the basis of various diseases, paving the way for the development of targeted therapeutic interventions. Exposure to stress conditions, such as hypoxia, leads to a drop in intracellular pH, which, in turn, alters the ionization states of amino acid residues and RNA bases, affecting the charge distribution and electrostatic interactions between RNA and proteins. In addition, pH also perturbs the structure and dynamics of proteins via the disruption of H-bonds and ionic interactions.

Circadian rhythms and cancer: implications for timing in therapy.

Circadian rhythms, intrinsic cycles spanning approximately 24 h, regulate numerous physiological processes, including sleep-wake cycles, hormone release, and metabolism. These rhythms are orchestrated by the circadian clock, primarily located in the suprachiasmatic nucleus (SCN) of the hypothalamus. Disruptions in circadian rhythms, whether due to genetic mutations, environmental factors, or lifestyle choices, can significantly impact health, contributing to disorders such as sleep disturbances, metabolic syndrome, and cardiovascular diseases.

Effectiveness of prenatal intervention on neonatal hyperbilirubinemia management in rural Bangladesh: Results from a cluster-randomized trial.

Objectives: Nearly 80 % of severe neonatal hyperbilirubinemia cases are identified too late for medical treatment in lower-middle-income countries. Parents' understanding of neonatal jaundice is crucial for early detection and effective treatment. This study evaluated the effectiveness of prenatal sensitization in improving maternal knowledge and attitude toward neonatal hyperbilirubinemia management in Bangladesh.

Fuzzy Logic Modelling of Risk Variables Influencing Musculoskeletal Disorders in Carpet Industry: A Cross-Sectional Study.

Objective: The purpose of this study was to develop a fuzzy prediction model that could help in determining the musculoskeletal risk involved in the occupation of hand-made carpet weaving.

Methods: A questionnaire-based study involving 193 carpet weavers in Jammu and Kashmir was conducted. The questionnaire collected information on demographics, psychosocial factors, workplace fatigue, and musculoskeletal complaints.

Developmental and Cell Fate Analyses Support a Postnatal Origin for the Cortical Collecting System in the Mouse Kidney.

Background: Structure and function in the mammalian kidney are organized along a radial axis highlighted by the corticomedullary organization and regional patterning of the collecting system. The arborised collecting epithelium arises through controlled growth, branching and commitment of Wnt11+ ureteric progenitor cells within cortically localized branch tips until postnatal day 3.

Methods: We applied in situ hybridization and immunofluorescence to key markers of collecting duct cell types to examine their distribution in the embryonic and postnatal mouse kidneys.

Correction: Cigarette smoking and associated factors among men in five South Asian countries: A pooled analysis of nationally representative surveys.

[This corrects the article DOI: 10.1371/journal.pone.

Cutting-edge Bioinformatics strategies for synthesizing Cyclotriazadisulfonamide (CADA) analogs in next-Generation HIV therapies.

Cyclotriazadisulfonamide (CADA) is a macrocyclic compound known for its unique mechanism in inhibiting HIV infection by downregulating the CD4 T-cell receptor, a crucial entry point for the virus. Unlike other antiretrovirals, CADA exhibits activity against a wide range of HIV strains, as all HIV variants require CD4 binding for infection. Furthermore, CADA has shown a synergistic effect with clinically approved anti-HIV drugs, offering potential for enhanced therapeutic strategies (Vermeire & Schols, [65]).

Understanding the Occurrence and Fate of Atmospheric Microplastics and Their Potential Risks to Human Health: Protocol for a Cross-Sectional Analysis.

Background: Plastic pollution has reached an alarming magnitude, defining the contemporary era as the "Plastic Age." Uncontrolled plastic production and inadequate recycling processes have led to widespread contamination of the environment with micro and nanoplastics.

Objective: The study aims to assess the environmental and human health consequences of exposure to microplastic particles (MPs) and their additives among plastic recycling workers in Dhaka.

Impact of Nutritional Minerals Biomarkers on Cognitive Performance Among Bangladeshi Rural Adolescents-A Pilot Study.

Nutritional metals (NM) are essential for neurodevelopment and cognitive performance during growth. Nevertheless, epidemiological evidence regarding the associations between NM and brain function remains understudied, particularly among adolescents. Therefore, the objective of this pilot study was to examine the effects of NM biomarkers such as iron (Fe), selenium (Se), zinc (Zn), magnesium (Mg), and copper (Cu) on neurobehavioral functions among a group of rural Bangladeshi adolescents.

In Vitro Evaluation of the Influence of Biosynthesized Calcium Oxide Nanoparticles on the Antibacterial Activity, pH, Microleakage and Cytotoxicity of Conventional Intracanal Medicaments.

Intracanal medicaments are an important adjunct to the effective disinfection of the root canal system. However, conventional intracanal medicaments do not provide adequate protection against , which is the organism of interest in many cases of root canal failures. This study aimed to evaluate the influence of biosynthesized calcium oxide nanoparticles (CaO NPs) on the antibacterial activity, pH, microleakage and cytotoxicity of intracanal medicaments.

Statistical and video graphic posture analysis of work-related musculoskeletal disorders among carpet weavers in Kashmir, India.

Background: Handmade carpet weaving involves intense mental focus as well as extended periods of sitting in an awkward posture. Prolonged sitting in the same squat position causes musculoskeletal disorders in various motor parts of the body. Weavers are at high risk of developing Work-related Musculoskeletal disorders (WMSDs) such as carpal tunnel syndrome (CTS) and low back pain (LB) due to the long working durations.

DNA Aptamers That Bind to Alginate Hydrogels.

Hydrogels have become common in wound treatment because they form very stable and biocompatible environments that promote healing. However, due to the highly porous hydrogel structure, any therapeutic added to these gels tends to diffuse quickly and impact delivery to the target site. Aptamers are short, single-stranded DNA or RNA sequences that bind specifically to a target, so aptamers that bind to hydrogels could serve as tags for therapeutics to prevent rapid diffusion and allow for extended delivery.

Transforming Diagnostics: A Comprehensive Review of Advances in Digital Pathology.

Digital pathology has emerged as a revolutionary field, transforming traditional diagnostic practices by integrating advanced imaging technologies, computational tools, and artificial intelligence (AI). Adopting digital slides over conventional glass slides enables high-resolution imaging, facilitating remote consultations, second opinions, and telepathology. The digitalization of pathology laboratories enhances workflow efficiency and allows for large-scale data storage, retrieval, and analysis, paving the way for developing robust diagnostic algorithms.

Dopamine-D2-agonist targets mitochondrial dysfunction via diminishing Drp1 mediated fission and normalizing PGC1-α/SIRT3 pathways in a rodent model of Subarachnoid Haemorrhage.

The adverse impact of disturbmitochondrialbiogenesis onearly brain injury (EBI) following subarachnoid haemorrhage (SAH) has been broadly recognized and is closely associated with oxidative stress and neuronal apoptosis. Previous studies have indicated the therapeutic potential of Ropinirole, a dopamine D2 agonist, in Ischemic Stroke. However, there is a lack of evidence regarding the ability of Ropinirole to enhance mitochondrial biogenesis and quality control after subarachnoid haemorrhage.

Increased Formation of Trions and Charged Biexcitons by Above-Gap Excitation in Single-layer WSe.

Two-dimensional semiconductors exhibit pronounced many-body effects and intense optical responses due to strong Coulombic interactions. Consequently, subtle differences in photoexcitation conditions can strongly influence how the material dissipates energy during thermalization. Here, using multiple excitation spectroscopies, we show that a distinct thermalization pathway emerges at elevated excitation energies, enhancing the formation of trions and charged biexcitons in single-layer WSe by up to 2× and 5× , respectively.