C-H bond chlorination and bromination using water soluble nickel(II) guanidine complexes.

Water-soluble nickel(II)-guanidine-based complexes successfully catalyzed the C-H chlorination of a series of hydrocarbons in the presence of NaOCl and acetic acid in water-chloroform (7 : 3, biphasic condition) at room temperature. Majorly chlorinated products (TON ∼680 for cyclohexane) were obtained. Furthermore, C-H bond bromination of cyclohexane, -hexane, and toluene was also carried out using generation of NaOBr.

Mechanism of a novel metal-free carbonic anhydrase.

The recently discovered metal-free carbonic anhydrase (CA) enzyme may significantly impact the global carbon dioxide (CO) cycle, as it can irreversibly perform the CO hydration reaction. In this study, we investigated several key aspects of metal-free CA, including the identification of the catalytic site, the determination of the CO binding site, and the mechanism of catalysis. This is achieved through classical molecular dynamics (MD) simulations, quantum chemical density functional theory (DFT), and hybrid quantum mechanics/molecular mechanics (QM/MM) calculations.

Photolytic -Selective Amino Pyridylation of Aryl Isocyanates with -Amino Pyridinium Ylides for the Synthesis of -Arylsulfonyl Ureas.

Herein, we report an expedient synthesis of aryl sulfonyl ureas and from -amino pyridinium ylides and aryl isocyanates. -Aminopyridinium ylides are synthesized via blue light-emitting diode irradiation of pyridine/isoquinoline and appropriate iminoiodinanes. The strategy involved a hitherto unknown carboamination of imine moieties (of aryl isocyanates) via a three-component reaction of pyridine derivatives/isoquinoline , -aryl sulfonyl iminoiodinanes , and numerous aryl isocyanates at room temperature in 2-methyl tetrahydrofuran to afford the target compounds in moderate to excellent yields.

Novel Autotaxin Inhibitor ATX-1d Significantly Enhances Potency of Paclitaxel-An In Silico and In Vitro Study.

The development of drug resistance in cancer cells poses a significant challenge for treatment, with nearly 90% of cancer-related deaths attributed to it. Over 50% of ovarian cancer patients and 30-40% of breast cancer patients exhibit resistance to therapies such as Taxol. Previous literature has shown that cytotoxic cancer therapies and ionizing radiation damage tumors, prompting cancer cells to exploit the autotaxin (ATX)-lysophosphatidic acid (LPA)-lysophosphatidic acid receptor (LPAR) signaling axis to enhance survival pathways, thus reducing treatment efficacy.

A novel energy-efficiency framework for UAV-assisted networks using adaptive deep reinforcement learning.

In the air-to-ground transmissions, the lifespan of the network is based on the "unmanned aerial vehicle's (UAV)" life span because of the limited battery capacity. Thus, the enhancement of energy efficiency and the outage of the ground candidate's minimization are significant factors of the network functionality. UAV-aided transmission can highly enhance the spectrum efficacy and coverage.

Dynamic response of sandwich functionally graded nanoplate under thermal environments and elastic foundations using dynamic stiffness method.

The present paper introduces the development of dynamic stiffness method for analyzing small-scale sandwich functionally graded nanoplates resting on elastic foundation in thermal environments. The mathematical formulation is based on classical plate theory in conjunction with nonlocal elasticity theory. The governing equation is derived using Hamilton's principle.

Integrating meta-heuristic with named data networking for secure edge computing in IoT enabled healthcare monitoring system.

The advancement in technology, with the "Internet of Things (IoT) is continuing a crucial task to accomplish distance medical care observation, where the effective and secure healthcare information retrieval is complex. However, the IoT systems have restricted resources hence it is complex to attain effective and secure healthcare information acquisition. The idea of smart healthcare has developed in diverse regions, where small-scale implementations of medical facilities are evaluated.

ERABiLNet: enhanced residual attention with bidirectional long short-term memory.

Alzheimer's Disease (AD) causes slow death in brain cells due to shrinkage of brain cells which is more prevalent in older people. In most cases, the symptoms of AD are mistaken as age-related stresses. The most widely utilized method to detect AD is Magnetic Resonance Imaging (MRI).

Structure of higher-order interactions in social-ecological networks through Q-analysis of their neighbourhood and clique complex.

This paper studies higher-order interactions in social-ecological networks, which formally represent interactions within the social and ecological units of an ecosystem. Many real-world social ecosystems exhibit not only pairwise interactions but also higher-order interactions among their units. Therefore, the conventional graph-theoretic description of networks falls short of capturing these higher-order interactions due to the inherent limitations of the graph definition.

Eosin Y Catalyzed Photochemical Synthesis of Arylated Phenothiazones.

In the presence of Eosin Y (), the synthesis of substituted phenothiazones was carried out efficiently using various substituted 2-aminothiophenol, diazonium salts, and 1,4-napthaquinones () at room temperature (RT) (condition: green LED of 525 nm, 44 W; reaction time: 8 h, isolated yield: 68-90%). A fluorescence quenching experiment and density functional theory (DFT) calculations suggested that the triplet photoexcited state of EY (EY*; τT = 320 ± 10 ns) converts to EY via oxidative quenching by ArN (-1.11 V vs SCE for EY* to EY) initially.

Implementing heuristic-based multiscale depth-wise separable adaptive temporal convolutional network for ambient air quality prediction using real time data.

In many emerging nations, rapid industrialization and urbanization have led to heightened levels of air pollution. This sudden rise in air pollution, which affects global sustainability and human health, has become a significant concern for citizens and governments. While most current methods for predicting air quality rely on shallow models and often yield unsatisfactory results, our study explores a deep architectural model for forecasting air quality.

Foldamer-Based Mechanoresponsive Materials: Molecular Nanoarchitectonics to Advanced Functions.

Artificial molecules that respond to external stimuli such as light, heat, chemical signals, and mechanical force have garnered significant interest due to their tunable functions, variable optical properties, and mechanical responses. Particularly, mechanoresponsive materials featuring molecules that respond to mechanical stress or show force-induced optical changes have been intriguing due to their extraordinary functions. Despite the promising potential of many such materials reported in the past, practical applications have remained limited, primarily because their functions often depend on irreversible covalent bond rupture.

Targeting prostate cancer via therapeutic targeting of PIM-1 kinase by Naringenin and Quercetin.

PIM-1 kinase belongs to the Ser/Thr kinases family, an attractive therapeutic target for prostate cancer. Here, we screened about 100 natural substances to find potential PIM-1 inhibitors. Two natural compounds, Naringenin and Quercetin, were finally selected based on their PIM-1 inhibitory potential and binding affinities.

Single-step,fabrication of flower-like NiCuMn hybrid oxyhydroxide electrodes for enhanced supercapacitor performance.

The rational design of highly active and low-cost electrode material is very promising for energy storage applications. The development of supercapacitors with high energy/power density is an imperative and challenging research objective. Herein, we report a highly facile synthesis approach for developing unique nano-porous hybrid NiCuMn oxyhydroxide architecture with remarkable electrochemical energy storage characteristics.

Uncovering the Role of Methylmercury on DNA Lesions at Cytotoxic Concentrations in Glutathione-Depleted Cells: Insights from Experimental and Computational Studies.

Organomercurials (RHg), especially methylmercury (MeHg) and ethylmercury (EtHg), are considered to be more neurotoxic than the inorganic counterpart (Hg). They cause massive DNA damage in cells, especially in neurons, where cellular glutathione (GSH) levels are significantly low. However, the mechanism by which RHg exerts massive DNA damage at cytotoxic concentrations in brain cells remains obscure.

A Deep Auto-Optimized Collaborative Learning (DACL) model for disease prognosis using AI-IoMT systems.

In modern healthcare, integrating Artificial Intelligence (AI) and Internet of Medical Things (IoMT) is highly beneficial and has made it possible to effectively control disease using networks of interconnected sensors worn by individuals. The purpose of this work is to develop an AI-IoMT framework for identifying several of chronic diseases form the patients' medical record. For that, the Deep Auto-Optimized Collaborative Learning (DACL) Model, a brand-new AI-IoMT framework, has been developed for rapid diagnosis of chronic diseases like heart disease, diabetes, and stroke.

Unique Synthetic Strategy for Probing in Situ Lysosomal NO for Screening Neuroinflammatory Phenotypes against SARS-CoV-2 RNA in Phagocytotic Microglia.

In the pathogenesis of microglia, brain immune cells promote nitrergic stress by overproducing nitric oxide (NO), leading to neuroinflammation. Furthermore, NO has been linked to COVID-19 progression, which has caused significant morbidity and mortality. SARS-CoV-2 infection activates inflammation by releasing excess NO and causing cell death in human microglial clone 3 (HMC3).

The tRNA half: A strong endogenous Toll-like receptor 7 ligand with a 5'-terminal universal sequence signature.

Toll-like receptors (TLRs) are crucial components of the innate immune system. Endosomal TLR7 recognizes single-stranded RNAs, yet its endogenous ssRNA ligands are not fully understood. We previously showed that extracellular (ex-) 5'-half molecules of tRNA (the 5'-tRNA half) in extracellular vesicles (EVs) of human macrophages activate TLR7 when delivered into endosomes of recipient macrophages.

Light-Induced Generation and Cycloaddition Reactions of Benzyne: Synthesis of Naphthoxindoles E and Annulated Indolizines.

By virtue of their high electrophilic nature, benzynes serve as reactive dienophiles in numerous cycloaddition reactions. However, in situ generation of benzyne involves either base-mediated thermal reactions, low-temperature conditions, or metal-catalyzed reactions of substituted arenes. This limits the applicability of benzynes as suitable dipolarophiles in cycloaddition reactions.

Characterizing the Microparticles Deposition Structure and its Photonic Nature in Surfactant-Laden Evaporating Colloidal Sessile Droplets.

This work presents a simple method to create photonic microstructures via the natural evaporation of surfactant-laden colloidal sessile droplets on a flat substrate. In the absence of dissolved surfactant, the evaporating colloidal droplet forms a well-known coffee ring deposition. In contrast, the presence of surfactant leads to the formation of multiple ring structures due to the repetitive pinning-depinning behavior of the droplet contact line (CL).

Regioselective Synthesis of the Tetrahydrocarbazole Core of Alkaloids via Palladium-Catalyzed Intramolecular Arylation Reaction.

Tetrahydrocarbazole is the central core for several biologically active alkaloids, and regioselective synthesis of this core is a challenging task. Herein, we report an efficient strategy for the synthesis of this core involving palladium-catalyzed intramolecular arylation reaction with excellent regioselectivity (>99%) starting from -phenyl-bromoalkene without having any relocation of double bonds via competitive palladium-catalyzed isomerization reaction. Broad functional group tolerance and exclusive regioselectivity have been observed for meta-substituted halide substrates.

Protocol for aqueous synthesis of bioactive quaternary ammonium betaine derivatives under blue LED.

Quaternary ammonium compounds exhibit diverse applications as antibiotics, as surfactants, in paper industries, in sewage treatment, and in aquaculture. Here, we present a protocol for synthesizing a library of bioactive quaternary ammonium betaine derivatives under blue LED in water. We describe steps for preparing diazo compounds, synthesizing glycine betaine derivatives, and isolating pure final compounds via precipitation from an aqueous reaction mixture.

Optimization and characterization of hybrid bio-briquettes produced from the mixture of sawdust, sugarcane bagasse, and paddy straw.

Biomass briquetting is a viable densification technique that converts waste biomass materials into useful products and alternative energy. This work explores the characteristics and optimization of hybrid bio-briquette production by combining crop residues (paddy straw) and solid biomass materials (sawdust and sugarcane bagasse). A total number of 20 briquettes were fabricated with three input factors: sawdust (SD), sugarcane bagasse (SB), and paddy straw (PS) based on the faced-centered central composite design (FCCCD) approach in the laboratory to investigate the calorific value (CV) and ash content (AC).