Excited-State Carrier Dynamics in Semiconducting Heterostructures from Self-Sorted NIR Active Dyes.

Heterostructures comprise two or more different semiconducting materials stacked either as co-assemblies or self-sorted based on their dynamics of aggregates. However, self-sorting in heterostructures is rather significant in improving the short exciton diffusion length and charge separation. Despite small organic molecules being known for their self-sorting nature, macrocyclic are hitherto unknown owing to unrestrained assemblies from extended π-conjugated systems.

Exploration of the cytotoxic and microtubule disruption potential of novel imidazo[1,5-]pyridine-based chalcones.

In continuation of our efforts to develop new anticancer compounds, a new series of imidazo[1,5-]pyridine-chalcone derivatives was designed, synthesized, characterized, and evaluated for its cytotoxicity against five human cancer cell lines, , breast (MDA-MB-231), colon (RKO), bone (Mg-63), prostate (PC-3), and liver (HepG2) cell lines, as well as a normal cell line (HEK). Among the synthesized compounds, two exhibited promising cytotoxicity against the MDA-MB-231 cell line with IC values of 4.23 ± 0.

Identification of mitoxantrone as a potent inhibitor of CDK7/Cyclin H via structure-based virtual screening and In-Vitro validation by ADP-Glo kinase assay.

Cyclin-dependent kinases, CDK7 and CDK9 play critical roles in cancer by regulating transcriptional processes essential for cell proliferation and survival. Their dysregulation leads to aberrant gene expression, promoting oncogenic pathways and contributing to tumor growth and progression. This study aimed to identify a new chemotype for CDK7/9 inhibitors using a structure-based virtual screening approach.

Influence of Keto-Enol Tautomerism in Regulating CO Photoreduction Activity in Porous Organic Porphyrinic Photopolymers.

Photoassisted CO reduction employing a metal-free system is both challenging and fascinating. In our study, we present a structural engineering strategy to tune the potential energy barrier, which, in turn, affects the photoreduction ability. A series of porphyrin-based porous organic polymers () were hydrothermally synthesized and the influence of keto-enol tautomerization on the CO photoreduction potential has been rigorously investigated.

A-site composition tuning in methylammonium-based metal halide perovskite colloidal nanocrystals.

Utilizing the soft-lattice nature of metal halide perovskites, we employ post-synthetic cross-ion exchange to synthesize a series of narrow band-gap colloidal nanocrystals of methylammonium-based lead iodide solid solutions of composition FAMAPbI, as well as those of triple-cation composition CsFAMAPbI (TCPbI). The ability to finely tune the compositions not only helps in tailoring the optical properties in the near-infrared region, but also improves the stability of these colloidal nanocrystals towards moisture, which has been demonstrated as compared to their bulk counterparts. The thermal stability of these solid solutions is also comparable to that of the bulk, as evidenced by thermogravimetric studies.

Tuning the properties of soy protein isolate-based adhesive using various sustainable additives.

This work investigates the adhesive property of Soy Protein Isolate (SPI) polymer solution by studying mechanical properties of composites formed using waste wood granules and SPI solutions. To improve the adhesive strength of SPI solution, Carboxymethyl Cellulose Sodium (NaCMC) was mixed (in the weight ratios of 9:1 and 8:2) due to its strong gel formation capabilities. The adhesive performance of these composites was further investigated in the presence and absence of non-toxic additives, including sorbitol (SOR) and stearic acid (SA).

Hierarchical Self-Assembly of SnO Nanoparticles into Porous Microspheres: Exceptionally Selective Ammonia Sensing at Ambient.

Herein, porous SnO microspheres in a three-dimensional (3D) hierarchical architecture were successfully synthesized via a facile hydrothermal route utilizing d-(+)-glucose and cetyltrimethylammonium bromide (CTAB), which act as reducing and structure-directing agents, respectively. Controlled adjustment of the CTAB to glucose mole ratio, reaction temperature, reaction time, and the calcination parameters all provided important clues toward optimizing the final morphologies of SnO with exceptional structural stability and reasonable monodispersity. Electron microscopy analysis revealed that microspheres formed were hierarchical self-assemblies of numerous primary SnO nanoparticles of ∼3-8 nm that coalesce together to form nearly monodispersed and ordered spherical structures of sizes in the range of 230-250 nm and are appreciably porous.

Synthesis of pyrano[3,2-]chromene-2,5-diones from 4-hydroxycoumarins and aminocrotonates under solvent-free conditions.

A new one-pot approach was developed for the construction of pyrano[3,2-]chromene-2,5-diones by reacting 4-hydroxycoumarins with ethyl 3-oxo-3-phenylpropanoates in the presence of ammonium salts or aminocrotonates under solvent-free conditions. The title compounds were formed by intramolecular cyclization through new C-C and C-O bonds. Structure assignment of compound 3e was confirmed by single crystal X-ray analysis.

6-aryloxy-2-aminopyrimidine-benzonitrile hybrids as anti-infective agents: Synthesis, bioevaluation, and molecular docking.

This report explores the potential of novel 6-aryloxy-2-aminopyrimidine-benzonitrile scaffolds as promising anti-infective agents in the face of the increasing threat of infectious diseases. Starting from 2-amino-4,6-dichloropyrimidine, a series of 24 compounds inspired from the antiviral drugs dapivirine, etravirine, and rilpivirine were designed and synthesized via a two-step reaction sequence in good yields. Biological testing of synthetic analogs revealed potent inhibition against both viral and tuberculosis targets.

Exploring the therapeutic potential of triterpenoid saponins from : Mechanistic insights into hepatoprotection, immunomodulation, anticancer activities, molecular docking, and pharmacokinetics.

The study comprehensively investigated the therapeutic potential of triterpenoid saponin extract (GST), encompassing its hepatoprotective, immunomodulatory, and anticancer activities. The study employed a Prednisolone (PRD)-induced immunosuppressed rat model to assess the hepatoprotective and immunomodulatory effects of GST. Using this model, GST was found to modulate haematopoiesis, improving RBC, platelet, and WBC counts, underscoring its potential in hematopoietic homeostasis.

Understanding Neurogenesis and Neuritogenesis via Molecular Insights, Gender Influence, and Therapeutic Implications: Intervention of Nanomaterials.

Neurological disorders impact global health by affecting both central and peripheral nervous systems. Understanding the neurogenic processes, i.e.

Phyto-metabolomic investigation of biologically active fraction of leaf.

(Wight & Arn.) Benth., leaves are used traditionally in variety of diseases.

Diastereoselective Cascade Double Michael Addition to Access Bridged Coumarins, Oxindoles and Spirooxindoles: A Sustainable Strategy for Synthesis of Anticancer Molecules.

An efficient and concise synthesis of highly functionalized bridged coumarins has been developed through a diastereoselective double Michael addition reaction of p-quinols with various 4-hydroxy coumarins under catalyst-free conditions in HO-DMSO (8 : 2). The method has been applied to oxindoles for the synthesis of a variety of bridged-oxindoles and bridged-spiroxindoles in presence of a DABCO base using HO-EtOH (8 : 2) as solvent medium. The strategy is simple, highly atom economical as there is no by-product and environmentally benign (E-factor=0.

Structure-based virtual screening of FDA-approved drugs to discover potential inhibitors of phosphoinositide kinase, PIKfyve.

The phosphoinositide kinase, PIKfyve is a lipid kinase that plays a vital role in membrane trafficking, endosomal transport, retroviral budding, and toll-like receptor signaling. Thus, it has emerged as a potential therapeutic target for several diseases, including, cancer, viral infections, and autoimmune diseases. However, a limited number of PIKfyve inhibitors have been reported so far.

Effective Targeting of Colorectal Cancer Stem Cells by Inducing Differentiation Mediated by Low-Dose Vitamin C via β-Catenin Retention in the Cell Membrane.

Cancer stem cells (CSCs) are implicated as the underlying cause of tumor recurrence due to their refractoriness to conventional therapies. Targeting CSCs through novel approaches can hinder their survival and proliferation, potentially reducing the challenges associated with tumor relapse. Our previous study demonstrated that colorectal cancer stem cells (CR-CSCs) showed sensitivity to Vitamin C (Vit C), displaying a dose-responsive effect where low doses (2-10 µM) promoted cell proliferation while high doses induced cell death.

Structure-Based Virtual Screening and Biological Characterization of Novel BACE-1 and Amyloid-β Aggregation Inhibitors.

Alzheimer's disease (AD) is a complex neurodegenerative disorder having limited treatment options. The beta-site APP cleaving enzyme 1 (BACE-1) is a key target for therapeutic intervention in Alzheimer's disease. To discover new scaffolds for BACE-1 inhibitors, a ChemBridge DIVERSet library of 20,000 small molecules was employed to structure-based virtual screening.

Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.

New cocrystals and a salt-cocrystal intermediate system involving the antifungal drug flucytosine (FCY) and various coformers including caffeic acid (CAF), 2-chloro-4-nitrobenzoic acid (CNB), hydroquinone (HQN), resorcinol (RES) and catechol (CAL), are reported. The crystal structures of the prepared multicomponent systems were determined through SC-XRD analysis and characterized by different solid-state techniques. All FCY multicomponent systems crystallize in anhydrous form with different stoichiometric ratios.

Defects in MOFs for Photocatalytic Water Reduction to Hydrogen Generation: From Fundamental Understanding to State-of-Art Materials.

Metal-organic frameworks (MOFs) are highly studied for solar H production from HO due to their abundant active sites and open pore channels. Titanium (Ti) and Zirconium (Zr) MOFs are particularly noted for their stability and optoelectronic properties, resembling conventional metal oxide semiconductors. These MOFs allow molecular-level tuning to alter optoelectronic properties, creating opportunities to enhance catalytic activity.

In silico inspired design of urea noscapine congeners as anticancer agents: Chemical synthesis and experimental evaluation using breast cancer cells and a xenograft mouse model.

A series of semisynthetic noscapine-urea congeners (7a-7h) as potential tubulin-binding agents are being developed by integrating a urea pharmacophore at the C-9 position of the noscapine scaffold. Their binding affinity to tubulin was predicted through molecular docking, molecular dynamics (MD) simulations, and the MM-PBSA approach. These molecules were subsequently chemically synthesized and assessed using breast cancer cell lines (MCF-7 and MDA-MB-231) and normal human embryonic kidney cells (HEK).

Advancements in Mixed-Matrix Membranes for Various Separation Applications: State of the Art and Future Prospects.

Integrating nanomaterials into membranes has revolutionized selective transport processes, offering enhanced properties and functionalities. Mixed-matrix membranes (MMMs) are nanocomposite membranes (NCMs) that incorporate inorganic nanoparticles (NPs) into organic polymeric matrices, augmenting mechanical strength, thermal stability, separation performance, and antifouling characteristics. Various synthesis methods, like phase inversion, layer-by-layer assembly, electrospinning, and surface modification, enable the production of tailored MMMs.

Transcriptomic Profiling Reveals Sex-Specific Epigenetic Dynamics Involving kdm6b and H3K27 Methylation in Cerebral Ischemia-Induced Neurogenesis and Recovery.

Cerebral ischemic stroke ranks among the leading causes of death and disability worldwide. A significant challenge, beyond the lack of effective therapies, is the frequent oversight of sex as a vital factor in stroke research. This study focuses on elucidating the sex-specific epigenetic mechanisms that contribute to neural damage and recovery in cerebral ischemia.

BINAP-CuH-catalysed enantioselective allylation using alkoxyallenes to access 1,2-,-diols.

Herein, we present an economical method for highly enantioselective and diastereoselective Cu-BINAP-catalysed reductive coupling of alkoxyallenes with a range of electronically and structurally diverse ketones to afford 1,2-,-diols, using PMHS as the hydride source. This reductive coupling has also been efficiently employed in the enantioselective desymmetrization of prochiral cyclic ketones harboring quaternary centres, in high yields with exclusive diastereoselectivity. Density Functional Theory (DFT) calculations are used to elucidate that the reaction is facilitated by a kinetically favourable "open" -enolate copper-alkoxyallene conformer, occurring at a lower Gibbs free energy barrier (by 3.

Effect of PVA-based films incorporated with postbiotics, flax seed mucilage and guar gum to enhance the postharvest quality of fig fruits.

Eco-friendly antimicrobial bio-composite films (BCF) were produced by using guar gum (GG), flax seed mucilage (FM) and polyvinyl alcohol (PVA), supplemented with cell-free supernatant (CFS) of Lactobacillus plantarum (L. p) and Lactobacillus delbrueckii (L. d) by the solvent casting technique.