Evolution of electronic structure and optical properties of naphthalenediimide dithienylvinylene (NDI-TVT) polymer as a function of reduction level: a density functional theory study.

Naphthalenediimide (NDI)-based donor-acceptor co-polymers with tunable electronic, optical, mechanical, and transport properties have shown immense potential as n-type conducting polymers in organic (opto)electronics. During the operation, the polymers undergo reduction at different charged states, which alters their (opto)electronic properties mainly due to the formation of the quasiparticles, polaron/bipolaron. The theoretical study based on quantum mechanical calculations can provide us with a detailed understanding of their (opto)electronic properties, which is missing to a great extent.

Insights into Interlayer Dislocation Augmented Zinc-Ion Storage Kinetics in MoS Nanosheets for Rocking-Chair Zinc-Ion Batteries with Ultralong Cycle-Life.

Increasing attention to sustainability and cost-effectiveness in energy storage sector has catalyzed the rise of rechargeable Zinc-ion batteries (ZIBs). However, finding replacement for limited cycle-life Zn-anode is a major challenge. Molybdenum disulfide (MoS), an insertion-type 2D layered material, has shown promising characteristics as a ZIB anode.

An Azomethine Derivative, 1-(4-nitrophenyl)-N-phenylmethanimine (BCS2) Ameliorated 7,12-dimethylbenz(a)anthracene-induced Mammary Carcinoma through Nrf2-Keap1-HO-1 Pathway.

Aims: The aim of this study is the evaluation of an Azomethine derivative, BCS2, for its antioxidant and anti-tumor activities against mammary carcinoma through the Nrf2- Keap1-HO-1 pathway.

Background: The global prevalence of breast cancer is rising at an alarming rate. The facilitation of abnormal cell proliferation in mammary carcinoma occurs due to the disruption of signaling pathways that balance pro- and antioxidant status, thereby producing oxidative stress that disrupts genomic stability.

Network analysis of differentially expressed genes involved in oral submucous fibrosis and oral squamous cell carcinoma: a comparative approach.

Objective: Oral submucous fibrosis (OSMF) is categorized as an oral potentially malignant disorder (OPMD) with an increased risk of occurrence of oral squamous cell carcinoma (OSCC). In this study, we aimed to identify the hub genes associated with OSMF and OSCC.

Study Design: Using RStudio, a set of differentially expressed genes (DEGs) were identified in (A) OSMF, (B) OSCC, and (C) comparative OSMF-OSCC category, obtained from Gene Expression Omnibus (GEO).

Ni-Co doped TiO catalyst for efficient photocatalytic degradation of Malachite Green under UV and direct sunlight.

In the present study, combustion-synthesized TiO nanoparticles were wet impregnated with Ni, Co, and Ni-Co, respectively. The photocatalytic performance of synthesized catalysts was evaluated against Malachite Green dye. The synthesized materials were characterized for crystallite size, surface morphology, elemental composition, and band gap using X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, and ultra-violet diffused reflectance spectroscopy, respectively.

Design, Synthesis and in vitro Evaluation of Primaquine and Diaminoquinazoline Hybrid Molecules Against the Malaria Parasite.

In this study, we built on the known inhibitory potential of diaminoquinazolines (DAQs) against different stages of Plasmodium development and designed a convenient two-step synthesis to combine DAQ with primaquine (PQ) pharmacophore. The PQ-DAQ hybrids displayed potent in vitro activities in the low nanomolar range (IC 135.20-398.

Structure and dynamics of piperidinium based amino acid ionic liquids: a computational investigation.

Context: There has been growing interest in amino acid ionic liquids because of their low-cost synthesis and superior biodegradability and biocompatibility compared to traditional ionic liquids. In this study, we have investigated the structure and dynamics of three ionic liquids consisting of N-butyl N-methyl piperidinium [Pip] cation with amino acid (lysine [Lys], histidine [His], and arginine [Arg]) anions. The radial distribution functions, the spatial distribution functions, and the coordination numbers have been used to analyze the structure in the bulk phase.

Deep learning-based encryption scheme for medical images using DCGAN and virtual planet domain.

The motivation for this article stems from the fact that medical image security is crucial for maintaining patient confidentiality and protecting against unauthorized access or manipulation. This paper presents a novel encryption technique that integrates the Deep Convolutional Generative Adversarial Networks (DCGAN) and Virtual Planet Domain (VPD) approach to enhance the protection of medical images. The method uses a Deep Learning (DL) framework to generate a decoy image, which forms the basis for generating encryption keys using a timestamp, nonce, and 1-D Exponential Chebyshev map (1-DEC).

On Diffusiophoresis of a Soft Particle with a Hydrophobic Inner Core: A Semianalytical Study.

The current study deals with a theoretical analysis of diffusiophoresis of a soft particle, consisting of a hydrophobic charged rigid core coated with an ion- and fluid-penetrable charged polymer layer suspending in an electrolyte medium in reaction to an applied concentration gradient. The inner core's hydrophobicity is assumed to be characterized by a surface-charge-dependent slip length parameter. Based on a weak particle charge consideration, the governing equations describing the flow phenomena are solved theoretically to deduce a semianalytic general diffusiophoretic mobility expression applied to an arbitrary Debye layer thickness.

An Azomethine Derivative, BCS3, Targets XIAP and cIAP1/2 to Arrest Breast Cancer Progression Through MDM2-p53 and Bcl-2-Caspase Signaling Modulation.

: Breast cancer influences more than 2 million women worldwide annually. Since apoptotic dysregulation is a cancer hallmark, targeting apoptotic regulators encompasses strategic drug development for cancer therapy. One such class of apoptotic regulators is inhibitors of apoptosis proteins (IAP) which are a class of E3 ubiquitin ligases that actively function to support cancer growth and survival.

Exploration of magnetic zeolite thin film derived from coal fly ash an efficient sorbent: Application to water treatment.

Fly ash, produced during coal combustion for energy making, which is recognized as an industrial by-product, could lead to environmental health hazards. Subsequently, fly ash found that an exceptional adsorption performance for the removal of various toxic pollutants, the adsorption capacity of fly ash might be altered by introducing physical/chemical stimulation. Successfully converting fly ash into zeolites not only recovers their disposal difficulties but also transforms unwanted materials into merchandisable products for various industrial applications.

Artocarpus lakoocha seed starch and thymol-based films for extending fresh fruit shelf life: Antioxidant and physicochemical properties.

This study addresses the need for sustainable fruit preservation packaging by developing biodegradable films from nonconventional starch sources. The purpose was to enhance film properties and antioxidant capabilities using fatty acid-modified Artocarpus lakoocha starch films incorporated with thymol. The objective is to evaluate the impact of fatty acid modification on film characteristics and the antioxidant potential of thymol-unfused films.

Novel therapeutic targets for cardiorenal syndrome.

Cardiorenal syndrome (CRS) is an interdependent dysfunction of the heart and kidneys, where failure in one organ precipitates failure in the other. The pathophysiology involves sustained renin-angiotensin-aldosterone-system (RAAS) activation, mitochondrial dysfunction, inflammation, fibrosis, oxidative stress and tissue remodeling, culminating in organ dysfunction. Existing therapies targeting the RAAS, diuretics and other agents have limitations, including diuretic resistance and compensatory sodium reabsorption.

Green synthesis of low-cost graphene oxide-nano zerovalent iron composite from solid waste for photocatalytic removal of antibiotics.

This study develops a graphene oxide-nano zerovalent iron (GO-nZVI) composite for the efficient removal of tetracycline and ciprofloxacin from water. The composite was synthesized using sugarcane bagasse as the matrix for graphene oxide (GO) and Sal leaf extract to reduce iron into nano zerovalent iron (nZVI). Microscopic analysis confirmed multiple GO layers with nZVI particles on their surface, while XRD and Raman spectroscopy verified the crystalline nature of the composite.

An integrated DEA-fuzzy AHP method for prioritization of renewable energy sources in India.

As India's population grows and urbanization accelerates, energy demand is increasing sharply while conventional sources fall behind. To tackle energy shortages and climate change, India must prioritize renewable energy sources (RES), which offer sustainable solutions. The country is rich in RES, which can enhance fuel mix for electricity generation.

TEMPO-Mediated Direct C(sp)-H Alkoxylation/Aryloxylation of 1,4-Quinones.

A convenient and efficient transition-metal-free method has been developed for the C(sp)-H alkoxylation/aryloxylation of 1,4-quinones by direct cross-dehydrogenative coupling with readily available alcohols and phenols in the presence of TEMPO under simple and mild conditions. The method allowed the installation of a wide range of alkoxy/aryloxy groups, exhibited high functional group tolerance, showed a broad substrate scope, afforded good to excellent yields of products in a simple one-pot operation, and could be performed on a gram scale. Mechanistic investigation indicated the involvement of the radical pathway.

Investigation of the molecular level interaction in [CH3OH-CH2X2] complexes (X = I, Br, and Cl) using matrix-isolation IR spectroscopy.

The [CH3OH-CH2X2] (X = Cl, Br, and I) complexes have been studied to understand the tendency towards the formation of hydrogen bonds and halogen bonds. Three different types of interactions viz., C-X· · ·O, C-H· · ·O, and O-H· · ·X, are possible between the CH3OH and CH2X2.

The Effects of Electronic Cigarettes on Oral Microbiome and Metabolome in 3D Tissue-Engineered Models.

Background And Aim: Recent studies have shown that electronic cigarettes (ECs) use disrupts the oral microbiome composition and diversity, impairing the metabolic pathways of the mucosal cells. However, to date, no reports have evaluated the role of EC exposure in the context of oral metabolome. Hence, the aim of this study was to investigate the role of EC aerosol exposure in the dysregulation of the oral microbiome and metabolome profile using in vitro 3D organotypic models of human oral mucosa.

Physicochemical features of subunit interfaces and their role in self-assembly across the ferritin superfamily.

Ferritins are ubiquitous and play a critical role in iron homeostasis. They are classified into four main subfamilies: classical, bacterial, bacterioferritin, and Dps. These are characterized by subunits with a four-helical bundle domain and interact through three distinct regions-one antiparallel interface (IntA) and two perpendicular interfaces (IntB and IntC), collectively forming a cage-like structure.

Solid lipid nanoparticles for increased oral bioavailability of acalabrutinib in chronic lymphocytic leukaemia.

Acalabrutinib (ACP) is a first-line treatment for chronic lymphocytic leukemia but suffers from poor and variable oral bioavailability due to its pH-dependent solubility, CYP3A4 metabolism, and P-gp efflux. Thus, the objective of this study was to improve the solubility and dissolution behaviour, in turn enhancing bioavailability, by formulating solid lipid nanoparticles (SLNs). ACP loaded SLNs (ACP-SLNs) were prepared via solvent-free hot emulsification followed by a double sonication process.

Influence of soil characteristics and agricultural practices on microplastic concentrations in sandy soils and their association with heavy metal contamination.

Microplastics (MPs) seriously threaten soil quality and crop health, particularly in agricultural systems using plastic mulch and sewage sludge, with their abundance being strongly influenced by soil properties such as texture, structure, and chemical content. Considering this, the present study assessed MP contamination in arid agricultural soils, focusing on their abundance, morphology, composition, and association with heavy metals to evaluate environmental risks. Soil samples were collected from ten plastic-mulched fields and a control site across a 50 sq.

Exploring heavy metal dynamics and risks from dust and soil in urban cities of Jharkhand, India.

Jharkhand is a minerally prosperous state with geogenic and industrial origins of metals. This study assesses the seasonal variation of pseudo-total metal contents (Cr, Ni, Pb, Zn, Mn, Cu, Fe, Mg, Al) and related contamination and risks in indoor dust, street dust, and soils of four major cities of Jharkhand. Across cities and seasons, Zn, Cu, and Pb were the most common pollutants.

Stability enhancement of Amphotericin B using 3D printed biomimetic polymeric corneal patch to treat fungal infections.

Amphotericin B eye drops (reconstituted from lyophilized Amphotericin B formulation indicated for intravenous use) is used off-label for fungal keratitis. However, the reconstituted formulation is stable only for a week, even after refrigeration. Moreover, a high dosing frequency makes it an inconvenient treatment practice.