Enhanced Sampling Simulations of RNA-Peptide Binding Using Deep Learning Collective Variables.

Enhanced sampling (ES) simulations of biomolecular recognition, such as binding small molecules to proteins and nucleic acid targets, protein-protein association, and protein-nucleic acid interactions, have gained significant attention in the simulation community because of their ability to sample long-time scale processes. However, a key challenge in implementing collective variable (CV)-based enhanced sampling methods is the selection of appropriate CVs that can distinguish the system's metastable states and, when biased, can effectively sample these states. This challenge is particularly acute when the binding of a flexible molecule to a conformationally rich host molecule is simulated, such as the binding of a peptide to an RNA.

From an Invasive Weed to an Insecticidal Agent: Exploring the Potential of in Insect Management Strategies-A Review.

is weed with a wide range of chemical constituents, including primary and secondary metabolites such as alkaloids, flavonoids, tannins, saponins, and terpenoids. These compounds contribute to its medicinal and pesticidal potential. The essential oils and different solvent fractions derived from exhibit notable variations in their respective chemical compositions across various plant parts, spatial distributions, and interspecific comparisons.

Therapeutic Misadventure in a Case of Isolated Mastoid Cholesteatoma.

Cholesteatoma is a mass of keratin debris in the middle ear cavity or mastoid. Congenital cholesteatomas may remain asymptomatic for many years and present during adulthood or may even be an incidental finding. We hereby describe a case of 41-year male with an isolated mastoid congenital cholesteatoma with sigmoid plate erosion and posterior cranial dura exposure extending into digastric muscle.

Efficacy of Metformin-Cabergoline Compared to Metformin Monotherapy for Management of PCOS With Hyperprolactinemia: A Systematic Review and Meta-analysis.

Background: Metformin plays a major part in the treatment of polycystic ovarian syndrome .Trials are being conducted to compare the effectiveness of combination of metformin with cabergoline in the treatment of hyperprolactinemia and polycystic ovarian syndrome.

Objectives: The purpose of this study is to compare the effectiveness of metformin monotherapy and combination therapy with cabergoline versus metformin for the management of polycystic ovarian syndrome with hyperprolactinemia.

Evaluation of Acute Leukaemias by Flow Cytometry and Its Correlation With Diagnosis Using Morphological and Special Staining Techniques.

Background: Leukaemia can be reliably diagnosed and classified by the simultaneous application of multiple techniques. Cytochemical stains that are cheap and do not require any special instruments are very important in developing countries for the diagnosis of acute leukaemia (AL).

Aim: To diagnose AL in all suspected cases by flow cytometry and to correlate the diagnosis with morphological and special staining like myeloperoxidase (MPO) and periodic acid-Sciff (PAS) techniques.

Effectiveness of high flow nasal cannula (HFNC) versus bilevel positive airway pressure (BiPAP) in preventing tracheal reintubation in patients with high risk of extubation failure in intensive care unit - A randomised comparative trial.

Background And Aims: The incidence of tracheal extubation failure in high-risk patients is higher, and non-invasive ventilation is suggested to avoid tracheal reintubation. This study compares the effectiveness of bilevel positive airway pressure (BiPAP) and high flow nasal cannula (HFNC) to reduce the rate of reintubation in intensive care unit (ICU) patients with increased risk of extubation failure.

Methods: This randomised comparative trial was conducted on 60 high-risk patients on mechanical ventilators admitted to the ICU, ready for weaning after a spontaneous breathing trial.

Epoprostenol (Prostacyclin Analog) as a Sole Anticoagulant in Continuous Renal Replacement Therapy for Critically Ill Children With Liver Disease: Single-Center Retrospective Study, 2010-2019.

Objectives: Despite deranged coagulation, children with liver disease undergoing continuous renal replacement therapy (CRRT) are prone to circuit clotting. Commonly used anticoagulants (i.e.

Chitosan anchored nZVI bionanocomposites for treatment of textile wastewater: Optimization, mechanism, and phytotoxic assessment.

In recent years, there has been a growing focus on treating textile wastewater due to its escalating threat to aquatic ecosystems and exposed communities. The present study investigates the adsorption efficacy of biopolymer functionalized nanoscale zero-valent iron (CS@nZVI) composite for the treatment of textile wastewater using the RSM-CCD model. The structure and morphology of CS@nZVI were characterized using XRD, FTIR, FESEM, and EDX.

Burden of stillbirths among women vaccinated with COVID-19 vaccines: A systematic review and meta-analysis.

Objective: To estimate the global burden of stillbirths among pregnant women with the COVID-19 vaccination.

Data Source: In this systematic review and meta-analysis, a literature search was carried out in PubMed, Cochrane and Scopus until February 4, 2023, with language restriction (English).

Study Selection: Title-abstract screening followed by full text review was done independently by two authors, based on the research question, "What is the prevalence of stillbirths among the pregnant women vaccinated with COVID-19 vaccines?"

Data Extraction: Two authors independently extracted the relevant data from every study.

A highly stable δ-MnO cathode with superior electrochemical performance for rechargeable aqueous zinc ion batteries.

Recently, aqueous zinc ion batteries (AZIBs) have attracted significant attention owing to their high safety, low cost, and abundant raw materials. However, finding an affordable and stable cathode, which can reversibly store a substantial amount of Zn ions without damaging the original crystal structure, is still a major challenge for the practical application of ZIBs. It has already been demonstrated that δ-MnO is a promising cathode for AZIBs owing to its layered structure and superior electrochemical performance; however, the reported results are still unsatisfactory (especially cyclability).

Enhanced osseointegration of drug eluting nanotubular dental implants: An and study.

Faster and predictable osseointegration is crucial for the success of dental implants, especially in patients with compromised local or systemic conditions. Despite various surface modifications on the commercially available Titanium (Ti) dental implants, the bioactivity of Ti is still low. Thus, to achieve both biological and therapeutic activity on titanium surfaces, surface modification techniques such as titanium nanotubes have been studied as nanotube surfaces can hold therapeutic drugs and molecules.

Occurrence of plastics and their characterization in wild caught fish species (Labeo rohita, Wallago attu and Mystus tengara) of River Ganga (India) compared to a commercially cultured species (L. rohita).

Ganga River in India is one of the top 10 polluted rivers in the world, yet there is no information on the occurrence of plastics in its wild caught fishes compared to commercially farmed fish species. In the present study, wild fish specimens belonging to nine species were caught along the River Ganga from two locations in Patna (Bihar). Organs (gastrointestinal tract, liver, gills and muscles) of fishes were analyzed for the presence of plastics.

Roflumilast Protects against Neuroinflammatory Alterations in Brain Tissues of Lipopolysaccharide-induced Mice Model.

Background: Microglial overactivation promotes the production of various second messengers and inflammatory markers in brain tissue, resulting in neuroinflammation and neurodegeneration, which may lead to cognitive decline. The cyclic nucleotides are one of the important second messengers involved in the regulation of neurogenesis, synaptic plasticity, and cognition. The levels of these cyclic nucleotides are maintained by phosphodiesterase enzyme isoforms, particularly PDE4B, in the brain.

Collective Variables for Crystallization Simulations-from Early Developments to Recent Advances.

Crystallization is an important physicochemical process which has relevance in material science, biology, and the environment. Decades of experimental and theoretical efforts have been made to understand this fundamental symmetry-breaking transition. While experiments provide equilibrium structures and shapes of crystals, they are limited to unraveling how molecules aggregate to form crystal nuclei that subsequently transform into bulk crystals.

Pharmacological and Pathological Relevance of S100 Proteins in Neurological Disorders.

The S100 protein is one of the calcium-binding proteins associated with Alzheimer's disease, Parkinson's disease, and amyotrophic lateral sclerosis. S100 proteins are expressed in the central nervous system by oligodendrocytes, astrocytes and neurons during both normal and disease conditions. Although amyloid-beta aggregation and hyperphosphorylated tau plaques are the main pathological hallmarks of Alzheimer's disease, the S100 protein family is closely associated with neuroinflammation in several neurodegenerative disorders, such as Alzheimer's disease, Parkinson's disease, amyotrophic lateral sclerosis in addition to various types of cancer and other brain diseases.

Facile synthesis of biopolymer decorated magnetic coreshells for enhanced removal of xenobiotic azo dyes through experimental modelling.

Since contamination of xenobiotics in water bodies has become a global issue, their removal is gaining ample attention lately. In the present study, nZVI was synthesized using chitosan for removal of two such xenobitic dyes, Bromocresol green and (BCG) and Brilliant blue (BB), which have high prevalence in freshwater and wastewater matrices. nZVI functionalization prevents nanoparticle aggregation and oxidation, enhancing the removal of BCG and BB with an efficiency of 84.

Zirconia-based nanomaterials: recent developments in synthesis and applications.

In the last decade, the whole scientific community has witnessed great advances and progress in the various fields of nanoscience. Among the different nanomaterials, zirconia nanomaterials have found numerous applications as nanocatalysts, nanosensors, adsorbents, Additionally, their exceptional biomedical applications in dentistry and drug delivery, and interesting biological properties, anti-microbial, antioxidant, and anti-cancer activity, have further motivated the researchers to explore their physico-chemical properties using different synthetic pathways. With such an interest in zirconia-based nanomaterials, the present review focuses systematically on different synthesis approaches and their impact on the structure, size, shape, and morphology of these nanomaterials.

Potential Impact of COVID-19 on Female Reproductive Health.

COVID-19 has emerged as the biggest pandemic of the world of all times. Its death toll is rising globally. COVID-19 mostly affects the lungs because the virus enters the host cells via the receptor for the ACE2 enzyme, which is also present in other organs of the human body.

Correction to: Metabolic syndrome; Definition, Pathogenesis, Elements, and the Effects of medicinal plants on it's elements.

[This corrects the article DOI: 10.1007/s40200-021-00965-2.].

Metabolic syndrome; Definition, Pathogenesis, Elements, and the Effects of medicinal plants on it's elements.

Introduction: Metabolic syndrome (MetS) is a cluster of metabolic risk factors that include central obesity, hypertension, insulin resistance, and atherogenic dyslipidemia and is strongly associated with a greater risk for developing cardiovascular disease and type 2 diabetes mellitus.

Methods: A literature search was conducted using the words metabolic syndrome, definition and pathogenesis in Scopus, and PubMed. The search also extended to cover medicinal plants and their role as a potential treatment of the metabolic syndrome.

Fabrication of glutathione functionalized self-assembled magnetite nanochains for effective removal of crystal violet and phenol red dye from aqueous matrix.

A novel fabrication of magnetite (FeO) nanochains, surface functionalized with glutathione (GSH), has been attempted through a basic wet reduction method, coalesced with oxidative etching for the removal of crystal violet (CV) and phenol red (PR) from an aqueous solution. The structural and functional characterizations of GSH@FeO MNPs were performed using SEM-EDX, DLS, XRD, and FTIR. The nanochain-structured adsorbent was found to have an average size of 24 ± 1.

Genetic Analysis for Resistance to Sclerotinia Stem Rot, Yield and Its Component Traits in Indian Mustard [ (L.) Czern & Coss.].

Understanding the mode of gene action that controls seed yield and Sclerotinia stem rot resistance in Indian mustard is critical for boosting yield potential. In a line × tester mating design, ten susceptible lines and four resistant testers were used to conduct genetic analysis. The significance of general combining ability (GCA) and specific combining ability (SCA) variances revealed that both additive and non-additive gene actions were involved in the inheritance of Sclerotinia stem rot resistance and yield attributing traits.

Tumor-associated macrophages in cancer: recent advancements in cancer nanoimmunotherapies.

Cancer immunotherapy has emerged as a novel cancer treatment, although recent immunotherapy trials have produced suboptimal outcomes, with durable responses seen only in a small number of patients. The tumor microenvironment (TME) has been shown to be responsible for tumor immune escape and therapy failure. The vital component of the TME is tumor-associated macrophages (TAMs), which are usually associated with poor prognosis and drug resistance, including immunotherapies, and have emerged as promising targets for cancer immunotherapy.