Experimental and theoretical investigation of cyclohexanone derivative (CHD) as a corrosion inhibitor for mild steel in 1 M HCl.

Newly synthesized 1-bromo-2-(4-bromophenylsulfonate)-4,4-dimethyl-1-cyclohexenyl-6-one (CHD) as a potential anticorrosive agent in an acidic medium at an elevated temperature range of 305-335 K. This synthesized compound confirmed by spectral characterizations and it acts as a coating on mild steel surfaces in 1 M Hydrochloric acid (HCl) solution through electrochemical reactions. The synthesis of the compound has been discussed, and the Infrared (IR) and Nucleic Magnetic Resonance (NMR) spectral analysis confirmed the derivative.

Nitrogen doped carbon quantum dots: a multifaceted carbon nanomaterial that interferes in an amyloid-forming trajectory.

Carbon quantum dots (CQDs) are a versatile class of carbon-based nanomaterial frameworks that have previously been used as a diagnostic device, in sensing for environmental applications, in bioimaging, and for drug delivery systems. Their versatility stems from their ability to be chemically tailored functionalization to optimize properties for specific applications. In this study, we have synthesized lactic acid-derived nitrogen doped carbon quantum dots (LAdN-CQDs) and examined their ability to intervene in the conversion of soluble, monomeric hen egg-white lysozyme (HEWL) into mature fibrils.

Integrative Investigation of Flavonoids Targeting YBX1 Protein-Protein Interaction Network in Breast Cancer: From Computational Analysis to Experimental Validation.

Y-box-binding protein 1 (YBX1) is a multifunctional oncoprotein with its nuclear localization contributing to chemo-resistance in breast cancer. Through its interactions with various proteins and lncRNAs, YBX1 promotes cancer cell migration, invasion, and metastasis. Despite its significant role in cancer progression, studies on YBX1's protein-protein interactions (PPIs) remain limited.

A scientific report on heat transfer analysis due to generated and absorbed heat over an oscillatory stretching sheet: a finite difference-based study.

A non-Newtonian liquid motion across a stretchable surface is relevant to various industrial applications, including extruding plastic sheets and stretching plastic films. In connection with this, the impact of endothermic and exothermic chemical reactions on the flow of rate-type liquid via an oscillatory stretching sheet in the presence of permeable media with the Maxwell liquid model is elucidated in the present study. Scientists and engineers may enhance the efficiency of chemical reactions or heat transmission by optimising system flow and investigating the effect of reactions on flow dynamics.

Starch-based bio-membrane for water purification, biomedical waste, and environmental remediation.

This review article explores the utilization of starch-based materials as smart materials for the removal of dyes and heavy metals from wastewater, highlighting their cost-effectiveness, biodegradability, and biocompatibility. It addresses the critical need for clean water, emphasizing the contamination caused by industrial activities, such as printing, textile, cosmetic, and leather tanning industries. Starch and its derivatives demonstrate significant potential in water purification technology, effectively removing toxicants through hydrogen bonding, electrostatic interactions, and complexation.

Exploring the therapeutic potential of Pongamia pinnata plant extract against skin cancer: In-silico and in-vitro study.

Ethnopharmacological Relevance: Pongamia pinnata Linn belonging to the Fabaceae family, holds significance as a crucial remedy in herbal medicine.

Aim Of The Study: The present study aims to determine the anticancer and antioxidant properties of the plant extract.

Material And Methods: The methodology includes extraction of the leaf sample by soxhlet method followed by the phytochemical analysis of leaf extract.

Multifaceted computational profiling of thymol and geraniol against the human proteome for bio-repellent alternatives: Toxicity predictions, degradation analysis, and quantum mechanical approaches.

With growing interest in natural compounds as alternative mosquito repellents, assessing the toxicity and structure of potential repellent naturals like thymol (monoterpene phenol) and geraniol (monoterpene alcohol) is vital for understanding their stability and human impact. This study aimed to determine the structural, toxicity, and binding profiles of thymol and geraniol using computational predictions, xTB metadynamics, quantum mechanics, and principal component analysis. Toxicity studies using Protox-II, T.

Forecasting of coronavirus active cases by utilizing logistic growth model and fuzzy time series techniques.

Coronavirus has long been considered a global epidemic. It caused the deaths of nearly 7.01 million individuals and caused an economic downturn.

PEDOT-Doped Mesoporous Nanocarbon Electrodes for High Capacitive Aqueous Symmetric Supercapacitors.

Poly(3,4-ethylenedioxythiophene) (PEDOT) and PEDOT-functionalized carbon nanoparticles (f-CNPs) were synthesized by in situ chemical oxidative polymerization and pyrolysis methods. f-CNP-PEDOT nanocomposites were prepared by varying the concentration of PEDOT from 1 to 20% by weight (i.e.

Unified Aedes aegypti Protein Resource Database (UAAPRD): An Integrated High-Throughput In Silico Platform for Comprehensive Protein Structure Modeling and Functional Target Analysis to Enhance Vector Control Strategies.

A comprehensive examination of Aedes aegypti's proteome to detect key proteins that can be targeted with small molecules can disrupt blood feeding and disease transmission. However, research currently only focuses on finding repellent-like compounds, limiting studies on identifying unexplored proteins in its proteome. High-throughput analysis generates vast amounts of data, raising concerns about accessibility and usability.

Computational Insights into Papaveroline as an In Silico Drug Candidate for Alzheimer's Disease via Fyn Tyrosine Kinase Inhibition.

Alzheimer's disease (AD) poses a significant global health challenge, necessitating the exploration of novel therapeutic strategies. Fyn Tyrosine Kinase has emerged as a key player in AD pathogenesis, making it an attractive target for drug development. This study focuses on investigating the potential of Papaveroline as a drug candidate for AD by targeting Fyn Tyrosine Kinase.

Ca-doped ZnO nanoparticles for MB dye degradation and adsorptive removal of tinidazole.

Industrial dye degradation involves several processes by which dyes are broken down, ideally into innocuous products. Methylene blue (MB) is one of the most commonly employed dyes in the textile industry and is released into water in routine industry processes. These discharges lead to creating a nocuous nature for humans and animals.

Biomedical applications of graphene-based nanomaterials: recent progress, challenges, and prospects in highly sensitive biosensors.

Graphene-based nanomaterials (graphene, graphene oxide, reduced graphene oxide, graphene quantum dots, graphene-based nanocomposites, etc.) are emerging as an extremely important class of nanomaterials primarily because of their unique and advantageous physical, chemical, biological, and optoelectronic aspects. These features have resulted in uses across diverse areas of scientific research.

A Novel Multimodal Biometric Person Authentication System Based on ECG and Iris Data.

Existing security issues like keys, pins, and passwords employed presently in almost all the fields that have certain limitations like passwords and pins can be easily forgotten; keys can be lost. To overcome such security issues, new biometric features have shown outstanding improvements in authentication systems as a result of significant developments in biological digital signal processing. Currently, the multimodal authentications have gained huge attention in biometric systems which can be either behavioural or physiological.

Quantum synergy in peptide folding: A comparative study of CVaR-variational quantum eigensolver and molecular dynamics simulation.

One of the technological fields that is developing the fastest is quantum computing in biology. One of the main problems is protein folding, which calls for precise, effective algorithms with fast computing times. Mapping the least energy conformation state of proteins with disordered areas requires enormous computing resources.

Screening Carbon Nano Materials for Preventing Amyloid Protein Aggregation by Adopting a Facile Method.

The soluble-to-toxic transformation of intrinsically disordered amyloidogenic proteins such as amyloid beta (Aβ), α-synuclein, mutant Huntingtin Protein (mHTT) and islet amyloid polypeptide (IAPP) among others are associated with disorders such as Alzheimer's disease (AD), Parkinson's disease (PD), Huntington's disease (HD) and Type 2 Diabetes (T2D), respectively. The dissolution of mature fibrils and toxic amyloidogenic intermediates, including oligomers, continues to be the pinnacle in the treatment of neurodegenerative disorders. Yet, methods to effectively and quantitatively report on the interconversion between amyloid monomers, oligomers and mature fibrils fall short.

Lipid Nanoparticles as a Platform for miRNA and siRNA Delivery in Hepatocellular Carcinoma.

Liver cancer is the sixth most common cancer and the fourth leading cause of death worldwide. Hepatocellular carcinoma (HCC) comprises 75-80% of liver cancer cases. Therapeutic strategies for HCC are available and have been shown to prolong survival but not treat HCC.

Enhancing Wear Resistance of UHMWPE Composites with Micro MoS and Nano Graphite: A Taguchi-DOE Approach.

This study presents an in-depth investigation into the wear characteristics of ultrahigh-molecular-weight polyethylene (UHMWPE) composites reinforced with microsized MoS and nanosized graphite particles. The objective is to enhance the wear resistance of the UHMWPE by examining the effects of various parameters and optimizing the wear performance. To achieve this goal, wet wear tests were conducted under controlled conditions, and the results were compared between composites with micro MoS and nano graphite reinforcements.

Screening Carbon Nano Materials for preventing amyloid protein aggregation by adopting a facile method.

The soluble-to-toxic transformation of intrinsically disordered amyloidogenic proteins such as amyloid beta (Aβ), α-synuclein, mutant Huntingtin Protein (mHTT) and islet amyloid polypeptide (IAPP) among others is associated with disorders such as Alzheimer's disease (AD), Parkinson's disease (PD), Huntington's disease (HD) and Type 2 Diabetes (T2D), respectively. The dissolution of mature fibrils and toxic amyloidogenic intermediates including oligomers continues to be the pinnacle in the treatment of neurodegenerative disorders. Yet, methods to effectively, and quantitatively, report on the interconversion between amyloid monomers, oligomers and mature fibrils fall short.

Relations between ordinary energy and energy of a self-loop graph.

Let be a graph on vertices with vertex set and let with . Denote by , the graph obtained from by adding a self-loop at each of the vertices in . In this note, we first give an upper bound and a lower bound for the energy of () in terms of ordinary energy (), order () and number of self-loops ().

Disaggregation of amyloid-beta fibrils via natural metabolites using long timescale replica exchange molecular dynamics simulation studies.

Context: Amyloid fibrils are self-assembled fibrous protein aggregates that are associated with several presently incurable diseases such as Alzheimer's. disease that is characterized by the accumulation of amyloid fibrils in the brain, which leads to the formation of plaques and the death of brain cells. Disaggregation of amyloid fibrils is considered a promising approach to cure Alzheimer's disease.

Experimental and numerical analysis of the thermal performance of pebble solar thermal collector.

In this work, pebbles of higher specific heat than the conventional absorber materials like aluminium or copper are proposed as a absorber in the solar flat plate collector. The proposed collector are integrated into the building design and constructed with masonry. Tests were conducted by varying the operating parameters which influence its performance, like the flow rate of the heat-absorbing medium, and the tilt of the collector using both coated and uncoated pebbles.