studies of triazole derivatives as inhibitors for estrogen receptor (ER) mutant L536S and anaplastic lymphoma kinase: DFT/tD-DFT, molecular docking, and MD simulations.

From the most prevalent cancers, breast and lung cancers have a meager survival rate for both men and women. These two cancers are related to each other. Breast cancer can possibly spread to the lungs or the region between the lung and the chest wall.

Assessment of multifunctional activity of graphene oxide and guar gum-based nanomaterials against Aedes aegypti.

Nanomaterials have been receiving much research attention in controlling insect pests and vectors. Properties, such as small surface-to-volume ratio, low dosages, durability, solubility, enhanced target activity, pore size and surface characteristics have enabled the design of precise and targeted insecticides through adsorption, encapsulation, and conjugation. The reported study aims to evaluate the efficacy of graphene oxide (GO) and guar gum (GG)-based nanomaterials against early fourth instar of Aedes aegypti, a mosquito responsible for transmitting diseases like dengue fever, Zika, and chikungunya, among many others.

Dimly illuminated nights alter behavior and negatively affect fat metabolism in adult male zebra finches.

This experiment investigated the effects of an ecologically relevant level of dim light at night (dLAN) on behavior, physiology and fat metabolism associated gene expressions in central and peripheral tissues of adult male zebra finches that were hatched and raised in 12:12 h LD cycle (Ev, day = 150 ± 5 lx; Ev, night = 0 lx) at 22 ± 2 °C temperature. Half of the birds (n = 8) were maintained on LD cycle and temperature, as before (control), to the other half of birds the 12 h dark period was dimly illuminated at ~ 5 lx (dim light at night, dLAN; Ev, day = 150 ± 5 lx; Ev, night =  ~ 5 lx) for 6 weeks. The exposure to dLAN altered the 24 h activity and feeding patterns with enhanced activity and feeding at night.

Microcrystalline cellulose and itaconic acid pH sensitive semi-interpenetrating network hydrogel for oral insulin delivery.

Diabetes mellitus is one of the important causes of death worldwide. Generally, a subcutaneous route is used for insulin administration, but has showen low patient compliance. Extensive research has been conducted to identify molecules capable of delivering insulin orally, for this hydrogel based on microcrystalline cellulose and itaconic acid have been produced and explored.

An attention approach to emoji focused sarcasm detection.

Emojis play a nuanced role in digital communication and have a potential to convey sarcastic intent as they often offer non-explicit and sometimes ambiguous cues. This ambiguity has a potential to fuel hate-speech, trolling, or cyber-bullying under the guise of sarcasm. There have been numerous studies that employ modalities like audio, images, videos, emojis or a combination of modalities to detect sarcasm in online text.

Moving population is a challenge for malaria elimination in India: A cross-sectional study to assess malaria parasite infections in walking pilgrims in western Rajasthan, India.

Objectives: India is vigorously pursuing malaria elimination by 2030 and one of the key challenges is how to prevent the malaria risk associated with long-distance migrations of populations from endemic to non-endemic areas. Millions of pilgrims walking to the holy Ramdevra temple stay in temporary shelters along the route in district of Jaisalmer, Rajasthan state in western India. The main pilgrimage period coincides with the post-monsoon period with elevated vector densities.

pH-sensitive semi-interpenetrating network of microcrystalline cellulose and methacrylic acid hydrogel for the oral delivery of insulin.

Insulin is commonly administered to diabetic patients subcutaneously and has shown poor patient compliance. Due to this, research has been carried out extensively to find molecules that could deliver insulin orally. In this context, a new type of pH-responsive hydrogel, composed of microcrystalline cellulose and methacrylic acid-based hydrogels, has been developed and studied for the oral delivery of insulin.

Synthesis, characterization and photophysical studies of dual-emissive base-modified fluorescent nucleosides.

A straightforward and efficient methodology has been employed for the synthesis of a diverse set of base-modified fluorescent nucleoside conjugates Cu(I)-catalysed cycloaddition reaction of 5-ethynyl-2',3',5'-tri--acetyluridine/3',5'-di--acetyl-2'-deoxyuridine with 4-(azidomethyl)--(4'-aryl)-9,10-dihydro-2,8-chromeno[8,7-][1,3]oxazin-2-ones in BuOH to afford the desired 1,2,3-triazoles in 92-95% yields. Treatment with NaOMe/MeOH resulted in the final deprotected nucleoside analogues. The synthesized 1,2,3-triazoles demonstrated a significant emission spectrum, featuring two robust bands in the region from 350-500 nm (with excitation at 300 nm) in fluorescence studies.

Natural product inspired diastereoselective synthesis of sugar-derived pyrano[3,2-c]quinolones and their in-silico studies.

Herein, we report the development of a diastereoselective and efficient route to construct sugar-derived pyrano[3,2-c]quinolones utilizing 1-C-formyl glycal and 4-hydroxy quinolone annulation. This methodology will open a route to synthesize nature inspired pyrano[3,2-c]quinolones. This is the first report for the stereoselective synthesis of sugar-derived pyrano[3,2-c]quinolones, where 100% stereoselectivity was observed.

One carbon metabolism and its implication in health and immune functions.

One carbon (1C) metabolism is critical for cellular viability and physiological homeostasis. Starting from its crucial involvement in purine biosynthesis to posttranslational modification of proteins, 1C metabolism contributes significantly to the development and cellular differentiation through methionine and folate cycles that are pivotal for cellular function. Genetic polymorphisms of several genes of these pathways are implicated in disease pathogenesis and drug metabolism.

Groundwater quality assessment for drinking purpose using traditional and fuzzy-GIS-based water quality index in Gurugram District of Haryana, India.

Primarily groundwater is consumed for the drinking and irrigation purpose. However, due to increasing anthropogenic activities, its quality and quantity have substantially declined over time. The focus of this study is to evaluate the pre-monsoonal groundwater quality and its spatial variability for drinking purposes in the Gurugram, Haryana, India.

Green Synthesis of Silver Nanoparticles Using and Their Biocompatibility with Hemoglobin: A Therapeutic Potential Approach.

In this study, we present the synthesis and characterization of AgNPs using along with an assessment of their antioxidant, antibacterial, and antidiabetic activities. Antibacterial activities using four bacterial strains, free radical scavenging assays (DPPH and ABTS), and carbohydrate hydrolyzing enzyme inhibition assays were done to examine the therapeutic efficacy of AgNPs. Additionally, herein, we also evaluated the biocompatibility of the AgNPs using hemoglobin (Hb) as a model protein.

From the discovery of helminths to the discovery of their carcinogenic potential.

Cancer involves a major aberration in the normal behaviour of cells, making them divide continuously, which interferes with the normal physiology of the body. The link between helminths and their cancer-inducing potential has been proposed in the last century. The exact pathway is still not clear but chronic inflammation in response to the deposited eggs, immune response against soluble egg antigens, and co-infection with a third party (a bacteria, a virus, or infection leading to a change in microbiome) seems to be the reasons for cancer induction.

Impacts of changing climate and topography on snow cover variability of Parvati River Basin, western Himalayas, India.

Snow cover is an essential element of the Himalayan region (Third Pole), and it represents the impacts induced by climate change. Recently, studies have reported significant variations in the Himalayan snow cover area, which may impact the livelihood of a large portion of the global population. Therefore, in this study, efforts were made to estimate the association between key climate stressors (CSs), i.

XLR-Net: Explainable AI-driven improved L-regularized deep neural architecture for NSCLC biomarker identification.

Background And Objective: Non-small cell lung cancer (NSCLC) exhibits intrinsic molecular heterogeneity, primarily driven by the mutation of specific biomarkers. Identification of these biomarkers would assist not only in distinguishing NSCLC into its major subtypes - Adenocarcinoma and Squamous Cell Carcinoma, but also in developing targeted therapy. Medical practitioners use one or more types of omic data to identify these biomarkers, copy number variation (CNV) being one such type.

Expression of angiogenic factors in the placenta of heme oxygenase-1 deficient mouse embryo.

Heme oxygenase 1 (Hmox1), the inducible form of heme degrading enzymes Hmoxs, is important for establishment and maintenance of pregnancy. A growing body of evidence suggests an association between Hmox1 and angiogenesis, including placental angiogenesis. In this study, we examined the expression of two angiogenic factors in the placentas of Hmox1 deficient mouse embryos, whose expression was found to be related to that of Hmox1.

Enlightening the path to NSCLC biomarkers: Utilizing the power of XAI-guided deep learning.

Background And Objective: The early diagnosis of Non-small cell lung cancer (NSCLC) is of prime importance to improve the patient's survivability and quality of life. Being a heterogeneous disease at the molecular and cellular level, the biomarkers responsible for the heterogeneity aid in distinguishing NSCLC into its prominent subtypes-adenocarcinoma and squamous cell carcinoma. Moreover, if identified, these biomarkers could pave the path to targeted therapy.

Repurposing of known drugs for COVID-19 using molecular docking and simulation analysis.

We selected fifty one drugs already known for their potential disease treatment roles in various studies and subjected to docking and molecular docking simulation (MDS) analyses. Five of them showed promising features that are discussed and suggested as potential candidates for repurposing for COVID-19. These top five compounds were boswellic acid, pimecrolimus, GYY-4137, BMS-345541 and triamcinolone hexacetonide that interacted with the chosen receptors 1R42, 4G3D, 6VW1, 6VXX and 7MEQ, respectively with binding energies of -9.

Mechanism and recent updates on insulin-related disorders.

Insulin, a small protein with 51 amino acids synthesized by pancreatic β-cells, is crucial to sustain glucose homeostasis at biochemical and molecular levels. Numerous metabolic dysfunctions are related to insulin-mediated altered glucose homeostasis. One of the significant pathophysiological conditions linked to the insulin associated disorder is diabetes mellitus (DM) (type 1, type 2, and gestational).

Design, synthesis, molecular docking and DFT studies on novel melatonin and isatin based azole derivatives.

In order to address the pressing demand for newer broad-spectrum antifungal medicines with enhanced activity, computer modelling was utilised to rationally develop newer antifungal azole-based drugs. Based on the drug and active sites of the 14 alpha-Demethylases (LAD) of the prominent fungal pathogen interaction, Novel triazole-linked melatonin and isatin derivatives 7a-d and 8a-d were synthesised using bioisosterism. Besides the experimental synthesis and subsequent characterization, the present study focused on obtaining optimised geometries, frequency calculations, and TD-DFT studies of the synthesised molecules.

Schistosoma japonicum Associated Colorectal Cancer and Its Management.

Background: An association between Schistosoma japonicum and colorectal cancer in humans has been known since a long time; however, this association remains understudied and lacks comprehensive experimentation support.

Objective: Various epidemiological and pathological studies have established the role of chronic inflammation as a major factor behind the induction of colorectal cancer. The aim of this review is to present the current knowledge on the association of Schistosoma japonicum with colorectal cancer.

Comparison of Adsorption Performance of Biochar Derived from Urban Biowaste Materials for Removal of Heavy Metals.

This study investigated the adsorption performance of biochar produced from different types of urban biowaste material viz., sugarcane bagasse (SB), brinjal stem (BS), and citrus peel (CP) for removal of heavy metal ions (Pb, Cu, Cr, and Cd) from aqueous solution. The effects of biowaste material, dosage of biochar, solution pH, and initial concentration of heavy metal ions and isotherm models were performed to understand the possible adsorption mechanisms.