Quasi-Majorana modes in the-wave Kitaev chains on a square lattice.

The topological characteristics of the-wave Kitaev chains on a square lattice with nearest-neighbor and next-nearest-neighbor inter-chains hopping and pairing are investigated. Besides gapless exact zero-energy modes, this model exhibits topological gapless phase hosting edge modes, which do not reside strictly at zero energy. However, these modes can be distinguished from the bulk states.

Necrostatin-1 attenuates oral squamous cell carcinoma by modulating tumour immune response in mice.

Background: Necroptosis has been shown to play an important role in various pathologies, including pancreatic cancer (PDAC). However, its role in the progression of oral cancer (OSCC) remains unclear.

Objectives: To determine the expression of key necroptosis pathway markers in an OSCC mouse model and evaluate the therapeutic effect of a necroptosis inhibitor on the progression of OSCC.

Search for improved triplet-state quenchers for fluorescence imaging: a computational framework incorporating excited-state Baird-aromaticity.

Fluorescence imaging is crucial for studying biology. Triplet state quenchers (TSQs), especially cyclooctatetraene (COT), can dramatically improve fluorophore performance, particularly when linked intramolecularly so as to enable "self-healing". Leveraging knowledge revealed through investigations of the self-healing mechanism enabled by COT, we computationally screened for cyclic 8π-electron species, and their annulated derivatives, with efficient triplet-triplet energy transfer potential, high photostability, and strong spin-orbit coupling (SOC) between the lowest triplet state to the singlet ground state.

Unusual polar ordering and room-temperature blue phase stabilization in tetrafluorinated bent-shaped mesogens.

The growing demand for advanced photonic and electro-optical devices necessitates the rational design of novel functional materials. Liquid crystals (LCs) are particularly promising due to their highly tunable electro-optical properties. Building on this potential, we synthesized a series of polar bent-core LCs, F4-a (dipole moment ∼9.

WELPSA: A Green Catalyst Mediated Microwave Assisted Efficient Synthesis of Novel 5-Aminopyrazole-4-Carbonitrile Derivatives as Anticancer Agents (MCF-7, A-549) and In Silico Studies.

Malononitrile, modified hydrazine, and quinoline aldehyde were combined in a one-pot reaction under microwave irradiation to create the medicinally significant family of heterocyclic scaffolds, quinoline, coumarin, thiazole, and pyrazole 4-carbonitrile derivatives with the help of green solvent as water. WELPSA (water extract of lemon peel-soaked ash) is used to speed up the reaction in a solvent-free environment, according to more environmentally friendly reaction protocols. This methodology offers several advantages like short reaction duration, green solvent synthesis, high yield, no need for chromatographic techniques, catalyst recyclability of up to five cycles, and so on.

Unraveling PPARβ/δ nuclear receptor agonists a drug-repurposing approach: HTVS-based ligand identification, molecular dynamics, pharmacokinetics, and anti-steatotic validation.

Peroxisome proliferator-activated receptors (PPARs) are ligand-activated nuclear receptors with a crucial regulatory role in carbohydrate and lipid metabolism and are emerging druggable targets in "metabolic syndrome" (MetS) and cancers. However, there is a need to identify ligands that can activate specific PPAR subtypes, particularly PPARβ/δ, which is less studied compared with other PPAR isoforms (α and γ). Herein, using the drug-repurposing approach, the ZINC database of clinically approved drugs was screened to target the PPARβ/δ receptor through high-throughput-virtual-screening, followed by molecular docking and molecular dynamics (MD) simulation.

Metabolomic profiling of biphenyl-induced stress response of Brucella anthropi MAPB-9.

The exposure of bacteria to toxic compounds such as polychlorinated biphenyl (PCB) and biphenyl induces an adaptive response at different levels of cell morphology, biochemistry, and physiology. PCB and biphenyl are highly toxic compounds commercially used in the industry. In our previous study, Brucella anthropi MAPB-9 efficiently degraded PCB-77 and biphenyl at a high concentration.

Exploration of the Therapeutic Potential of the Epigenetic Modulator Decitabine on 6-OHDA-Induced Experimental Models of Parkinson's Disease.

Parkinson's disease (PD) poses a global menace, as the available treatment methods solely aim to mitigate symptoms. An effective strategy to address the pathogenesis of PD involves eliminating the accumulation of aggregated alpha-synuclein, emphasizing the role of epigenetics. Aberrant epigenetic changes significantly influence gene expression, which is pivotal in PD progression, impacting neuronal growth and degeneration.

Unveiling the Dichotomy Between Cobalt(II)-Exchanged X and Y Faujasite Zeolites via Oxidative Carboxylation of Alkene to Cyclic Carbonate.

Cobalt(II)-exchanged X and Y zeolites with varying metal loadings were employed to convert CO to cyclic carbonates starting from alkenes. The transformation was carried out using O as an oxidant in a mixture of O and CO under atmospheric pressure, and a maximum yield of 35.7% cyclic carbonate was achieved.

Mechanochemical Functionalization of Heterocycles by C-H Activation: An Update.

The mechanochemical C-H activation of heterocycles presents a sustainable, solvent-free alternative to the traditional solution-phase synthesis. Heterocycles are fundamental molecular scaffolds in medicinal chemistry and drug discovery. This review highlights recent advances in mechanochemical methods for metal-catalyzed and metal-free C-H functionalization/derivatization, including arylation, alkenylation, acylation, borylation, trifluoromethylation, etc.

Reversible color changing response of pyrenylated charge-transfer probes towards Hg: linker-driven modulation of sensitivity and selectivity.

Two easily synthesizable prenylated charge transfer probes with a terminal pyridine unit were designed. The compounds differ based on the nature of the spacer: rigid olefinic (1) and flexible hydrazo (2). Both compounds show exclusive interaction with Hg ions, leading to changes in visible color.

Thiochromenes and thiochromanes: a comprehensive review of their diverse biological activities and structure-activity relationship (SAR) insights.

Thiochromene and thiochromane scaffolds, sulfur containing heterocycles, have gained significant attention in medicinal chemistry due to their diverse pharmacological activities. This review provides a comprehensive analysis of their antibacterial, antifungal, antiviral, anti-parasitic, and anticancer properties, emphasizing their therapeutic potential. SAR studies highlight key molecular modifications such as electron withdrawing substituents, sulfur oxidation, and tailored ring substitutions that enhance bioactivity, potency, and target specificity.

Excited State Dual Proton Transfer on a β-Carboline Fluorophore and Its Variable Response to Water and DO.

The excited state proton transfer (ESPT), a fundamental reaction in chemical and biological systems, is known for its diverse applications. Recent developments in these reactions have examined excited-state multiple proton transfer (ESMPT) involving two or more protons via inter-/intra-molecular mode. This work reports the proton transfer ability of a β-carboline probe, TrySPy, bearing dual intramolecular hydrogen bonds.

Assessment of polytetrafluoroethylene composites for deep groove ball bearing applications through free run and rolling contact fatigue tests.

Polytetrafluoroethylene (PTFE) is widely used in tribological applications. However, its usage in the ball-bearing application has not been explored. The present study investigates the usage of PTFE composites for deep groove ball (DGB) bearings.

Systematic review on postoperative opioid use and other outcomes after lobectomy for lung cancer in the U.S.

Objective: This systematic review summarizes literature on postoperative opioid use in lung cancer patients after lobectomy, focusing on opioid consumption, survival, recurrence, pain scores, length of stay, readmission, and in-hospital mortality.

Methods: PubMed and Embase were searched from 1 January 1993, to 31 May 2024, for observational studies on U.S.

Klotho antiaging protein: molecular mechanisms and therapeutic potential in diseases.

Klotho, initially introduced as an anti-aging protein, is expressed in the brain, pancreas, and most prominently in the kidney. The two forms of Klotho (membrane-bound and soluble form) have diverse pharmacological functions such as anti-inflammatory, anti-oxidative, anti-fibrotic, tumour-suppressive etc. The membrane-bound form plays a pivotal role in maintaining kidney homeostasis by regulating fibroblast growth factor 23 (FGF 23) signalling, vitamin D metabolism and phosphate balance.

Head-Group Modified Polydiacetylenes as Dual-Output Optical Sensors for Environmentally Toxic-and Bio-Analytes: An Update.

Polydiacetylenes (PDAs) have emerged as a promising class of stimuli-responsive materials due to their unique blue-to-red chromatic transition and associated fluorescence turn-on effect. These optical properties arise from the topochemical polymerization of diacetylene monomers into highly conjugated π-electron systems, enabling PDAs to function as dual-mode sensors. Their colorimetric and fluorimetric responses to external stimuli, including temperature, pH, mechanical stress, and chemical or biological interactions, have been widely exploited for sensing applications.

Advances in Transition Metal-Catalyzed C(sp)-H Bond Functionalization Using Allyl Alcohols.

The transition metal-catalyzed directed site-selective C─H bond functionalization utilizing allyl alcohols as coupling partner has been an intriguing area of research and has made considerable advances during the past decade. Multifunctional coupling characteristics of the allyl alcohol in the regioselective C(sp)-H functionalization using transition metal-catalysis produces alkyl, alkenyl, allyl, and annulated products. These reactions provide an effective synthetic tool to afford diverse functionalized scaffolds that are of interest in synthetic and medicinal sciences.

Lipid-based nanoformulations in onychomycosis therapy: addressing challenges of current therapies and advancing treatment.

Onychomycosis significantly impacts approximately 20% of the global population. The physical barriers of the nail structure make fungal infections a persistent therapeutic challenge. Traditional approaches, including topical and oral antifungal agents, have limitations such as toxicities, low nail permeability, adverse effects, and high recurrence rates.

Exploring the Anti-Tubercular Potential of 2-(1H-Pyrazol-1-yl) Pyrimidine: Design, Synthesis, Biological Evaluation and Molecular Docking Studies.

We designed and synthesised pyrazolyl pyrimidine-containing derivatives and screened for anti-mycobacterial activity. Key intermediate 4-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl pyrimidine is prepared via the literature-reported protocol. From this intermediate, the two sets of final compounds were prepared.

Comprehensive Analysis of Factors Leveraging Bio-Inspired Conical Designs for Efficient Fog Harvesting.

Environmental fog accumulation is a sustainable source of clean water, particularly in humid and arid regions. Many organisms have evolved passive microstructures to aid in fog droplet nucleation, accumulation, and transport. Researchers have developed various fog collectors, utilizing strategies like wire mesh, conical geometries, micronano texturing, and wettability modifications to enhance water collection.

Zinc Sensing by a Janus-Faced Fluorophore and its Application in the Cellular Microenvironment.

In this work, we have investigated the metal sensing capabilities of dimeric fused heterocycles, PQ-BCN and PQN-BCN, bearing a pyrrole-pyridine chelating unit. PQ-BCN displayed selectivity towards Zn in micromolar levels by steady-state absorbance and fluorescence-assisted screening experiments. The binding stoichiometry of the complex was determined to be a 1 : 2 probe-to-metal ratio.

Exploration of quinoxaline triazoles as antimycobacterial agents: design, synthesis and biological evaluation.

In this work, novel 2-substituted-3-((1-substituted-1H-1,2,3-triazol-4-yl) methoxy) quinoxaline analogues were designed, synthesized, and various analytical techniques, viz., H NMR, C NMR, and Mass spectrometry, were deployed in the structure confirmation of the final compounds. Synthesized derivatives were evaluated for their antimycobacterial activity against Mycobacterium tuberculosis (Mtb) H37Rv.

A critique review of fetal hemoglobin modulators through targeting epigenetic regulators for the treatment of sickle cell disease.

Sickle cell disease (SCD) is one of the most prevalent hereditary blood disorders characterized by aberrant hemoglobin synthesis that causes red blood cells (RBCs) to sickle and result in vaso-occlusion. The complex pathophysiological mechanisms that underlie SCD are explored in this study, including hemoglobin polymerization, the formation of fetal hemoglobin (HbF), and hemoglobin switching regulation. Notably, pharmaceutical approaches like hydroxyurea, l-glutamine, voxelotor, and crizanlizumab, in addition to therapeutic techniques like gene therapies like Casgevy and Lyfgenia, signify noteworthy advancements in the management of issues connected to SCD.

Muscarinic receptors at the auditory thalamocortical circuits and relevance to hearing.

The auditory thalamus and cortex are the critical structures in the auditory hierarchy, owing to their crucial role in plasticity, auditory object formation, speech understanding, and spatiotemporal integration. Acetylcholine, a key neuromodulator, alters the abovementioned processes by orchestrating its effects with other neurotransmitters and its high-affinity receptor, the muscarinic receptor. This manuscript extensively covers the localization and function of different muscarinic receptors in the auditory thalamocortical system.