Multifunctional PVDF membranes incorporating graphene, TiO, and nanocellulose: synergistic effects on filtration and antifouling performance.

Methylene blue (MB) remains one of the most resilient contaminants in industrial wastewater which presents serious threats to both environmental integrity and human health. Its high chemical stability and resistance to natural degradation render most conventional treatment methods ineffective. As such, this study aimed to develop a multifunctional nanocomposite membrane that mitigates membrane fouling, enhances dye separation, and improves water permeability.

Insights on Regioselective Synthesis of Fused Thiazoles: Density Functional Theory Calculations, Local Reactivity Indices, and Molecular Electrostatic Potential Analysis.

A regioselective protocol is developed and validated for the synthesis of pyrazolo[3,4-d]thiazoles and polycyclic-fused thiazoles through the reactions of 2-[((E)-benzylidene)hydrazono]-5-[(Z)-4-methoxybenzylidene]thiazolidin-4-one with hydrazine derivatives or heterocyclic amines, respectively. The products are confirmed by spectral and elemental analyses. Density functional theory studies, including frontier molecular orbital analysis, local reactivity indices, and molecular electrostatic potential mapping, explain the observed regioselectivity and support a proposed reaction mechanism.

Exploring Optoelectronic Behavior and Solar Cell Efficiency of Double Halide Perovskites MKIrCl (M = Cs, Rb) through DFT and SCAPS-1D.

Due to environmental concerns with lead-based perovskite solar cells (PSCs), attention has shifted toward safer alternatives like MKIrCl (M = Cs, Rb). This study extensively investigates the structural, electronic, and optical properties of MKIrCl using density functional theory (DFT). The analysis evaluates the suitability of these compounds as absorber materials in solar cells, emphasizing their environmental friendliness, stability, and efficiency for light-harvesting applications.

Green Synthesis and Anticancer Activity of New Bis-imidazole-thiazole Hybrids Targeting Hepatocellular Carcinoma.

Background: Given the inadequacies of current chemotherapy, there is a need for more effective anticancer agents. Imidazole and thiazole compounds have demonstrated significant biological activity, making them promising candidates.

Aims And Objectives: This study investigates the anticancer potential of imidazole and thiazole derivatives, focusing on liver cancer.

Enhancing the Performance of CsTiBr Lead-Free Perovskite Solar Cells: A Simulation Study on the Impact of Electron and Hole Transport Layers.

This research explores the capability of CsTiBr as a substrate for high-performance hybrid perovskite solar cells (HPSCs), incorporating wide-bandgap chalcogenide electron transport layers (ETLs), namely ZnSe, TiO, SnS, and ZnO, with a wide selection of hole transport layers (HTLs) including VO, CuSbS, and CuO. ZnSe was found to be the best ETL, and the SCAPS-1D simulator was used to adjust the device's thickness in order to maximize efficiency. Key factors such as doping concentration, density of defects, layer thickness, operating temperature, and interface defects were exhaustively examined.

Optimizing CsCuBiBr double halide perovskite for solar applications: the role of electron transport layers in SCAPS-1D simulations.

Perovskite solar cells are commonly employed in photovoltaic systems because of their special characteristics. Perovskite solar cells remain efficient, but lead-based absorbers are dangerous, restricting their manufacture. Therefore, studies in the field of perovskite materials are now focusing on investigating lead-free perovskites.

Synthesis and Molecular Docking of Curcumin-Derived Pyrazole-Thiazole Hybrids as Potent α-Glucosidase Inhibitors.

α-Glucosidase inhibitors are critical for diabetes management, with pyrazoles and thiazoles emerging as effective options. This research highlights curcumin-based pyrazole-thiazole hybrids as potential inhibitors, synthesizing derivatives and evaluating their inhibitory capabilities. The study involved the synthesis of novel compounds using hydrazonoyl halides, confirmed through elemental and spectral analyses.

Potential Development of Porous Carbon Composites Generated from the Biomass for Energy Storage Applications.

Creating an innovative and environmentally friendly energy storage system is of vital importance due to the growing number of environmental problems and the fast exhaustion of fossil fuels. Energy storage using porous carbon composites generated from biomass has attracted a lot of attention in the research community. This is primarily due to the environmentally friendly nature, abundant availability in nature, accessibility, affordability, and long-term viability of macro/meso/microporous carbon sourced from a variety of biological materials.

Architectural design and affecting factors of MXene-based textronics for real-world application.

Today, textile-based wearable electronic devices (textronics) have been developed by taking advantage of nanotechnology and textile substrates. Textile substrates offer flexibility, air permeability, breathability, and wearability, whereas, using nanomaterials offers numerous functional properties, like electrical conductivity, hydrophobicity, touch sensitivity, self-healing properties, joule heating properties, and many more. For these reasons, textronics have been extensively used in many applications.

Exploring cigarette butts pollution in Saint Martin Island: A marine protected area.

Saint Martin Island (SMI), the only coral island in Bangladesh, is located in the Bay of Bengal and has been identified as a marine protected area (MPA). Littering cigarette butts (CBs) waste in an ecologically sensitive environment can have numerous adverse effects. The purpose of this research is to investigate the abundance and density of CBs in SMI and to assess the pollution status using the Cigarette Butt Pollution Index (CBPI).

Recent Progress on Potentiometric Sensor Applications Based on Nanoscale Metal Oxides: A Comprehensive Review.

Electrochemical sensors have been the subject of much research and development as of late, with several publications detailing new designs boasting enhanced performance metrics. That is, without a doubt, because such sensors stand out from other analytical tools thanks to their excellent analytical characteristics, low cost, and ease of use. Their progress has shown a trend toward seeking out novel useful nano structure materials.

Synthesis of Bis-thiazoles Tethered 1,4-Dihydropyridine and Pyridine Linkers Simple Oxidation and their Molecular Docking as VEGFR -TK Inhibitors.

Aim: In this study, a neoteric and expedient oxidation method is applied for a variety of Hantzsch 1,4-dihydropyridine derivatives such as 1,4-dihydro- 2,6-dimethyl-3,5-diacetylpyridine, 3,5-bis-hydrazono--2,6-dimethyl-1,4-dihydropyridine, and 3,5-bis-thiazoly-2,6-dimethyl-1,4-dihydro pyridines.

Methods: This simple oxidation is based upon the generation of nitrous acid from an aqueous sodium nitrite and acetic acid mixture and could be used to downgrade costs, sustain resources, and minimize chemical wastes. Also, a molecular modeling strategy was used to study the mechanism of action for various derivatives of bis-hydrazinylidene- thiazole as the protein Vascular Endothelial Growth Factor Receptor Tyrosine Kinase (VEGFR TK) inhibitor through evaluating their binding scores and modes compared with Sorafenib as a reference standard.

Novel terpyridines as gyrase inhibitors: efficient synthesis and antibacterial assessment via solvent-drop grinding.

This study was designed to synthesize a novel series of terpyridines with potential antibacterial properties, targeting multidrug resistance. Terpyridines ( and ) were synthesized via a one-pot multicomponent reaction using 2,6-diacetylpyridines, benzaldehyde derivatives and malononitrile or ethyl 2-cyanoacetate. The reactions, conducted under grinding conditions with glacial acetic acid, produced high-yield compounds, confirmed by spectroscopic data.

Enhanced photocatalytic degradation of levofloxacin over heterostructured CN/NbO system under visible light.

The growing usage of antibiotics and their subsequent release in water bodies have become a serious environmental concern. In this study, heterostructured photocatalysts CN/NbO have been synthesized using a simple hydrothermal method and applied to facilitate the degradation of the widely used antibiotic levofloxacin. The structural, morphological, and optical properties of the photocatalysts were characterized using XRD, SEM, TEM, UV-Vis and PL to establish the structure-property relationship.

Synthesis, Biological Evaluation, and Molecular Docking of Novel Azolylhydrazonothiazoles as Potential Anticancer Agents.

A novel set of thiazolylhydrazonothiazoles bearing an indole moiety were synthesized by subjection reactions of carbothioamide derivative and hydrazonoyl chlorides (or α-haloketones). The cytotoxicity of the synthesized compounds was evaluated against the colon carcinoma cell line (HCT-116), liver carcinoma cell line (HepG2), and breast carcinoma cell line (MDA-MB-231), and demonstrated encouraging activity. Furthermore, when representative products were assessed for toxicity against normal cells, minimal toxic effects were observed, indicating their potential safety for use in pharmacological studies.

Synthesis and Molecular Docking Study of Some New Thiazole-coumarin Molecular Hybrids as Antibacterial Agents.

Background: The emergence of drug-resistant bacteria and multidrug-resistant diseases, both of which are associated with high mortality, has posed a serious global health issue. Thiazoles and coumarins were reported as antimicrobial agents.

Objective: This research paper aims to describe the synthesis of some novel thiazole derivatives bear-ing a coumarin residue as antibacterial agents Methods: The thiazole - coumarin hybrids were synthesized starting from the condensation of 3-acetyl coumarin (1) hydrazine carbothioamide (2) or thisemicarbazide then reacting the resulting products with different p-substituted phenacyl bromides (4a-e), hydrazonoyl chlorides (8a-e), and (11).

Detail computational study about the structural, electronic, optical, and mechanical properties of RbVX (Cl, Br, I) halide perovskite materials.

The non-toxic nature of lead-free materials with cubic perovskite structure has attracted the researcher's attention, and huge work is ongoing for the search of such materials. Furthermore, due to demand for their utilization in diverse applications, such as photovoltaic and optoelectronics, these inorganic-halide materials have become more enchanting for engineers. In the present work, all the key properties, including structural, electronic, optical, and mechanical, of rubidium based RbVX (where X is chlorine, bromine, and iodine) materials were extensively studied first-principle density functional theory (DFT).

Mechanochemical Synthesis and Molecular Docking Studies of New Azines Bearing Indole as Anticancer Agents.

The development of new approaches for the synthesis of new bioactive heterocyclic derivatives is of the utmost importance for pharmaceutical industry. In this regard, the present study reports the green synthesis of new benzaldazine and ketazine derivatives via the condensation of various carbonyl compounds (aldehydes and ketones with the 3-(1-hydrazineylideneethyl)-1-indole using the grinding method with one drop of acetic acid). Various spectroscopic techniques were used to identify the structures of the synthesized derivatives.

Optimizing Structural, Optical, Dielectric, and Magnetic Properties of (Bi La )FeO (0.00 ≤ ≤ 0.06) Sintered Ceramics.

(Bi La )FeO (0.00 ≤ ≤ 0.06) ceramics have been synthesized through a mixed oxide route to investigate their structural, morphological, optical, dielectric, and magnetic properties.

Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl (X = Rb, Cs): a first-principles calculations.

Perovskites are a significant class of materials with diverse uses in modern technology. The structural, electronic, elastic, thermoelectric, and optical properties of RbTiCl and CsTiCl perovskites were estimated using the FP-LAPW method within the framework of density functional theory. The exchange-correlation energy of both analyzed systems was calculated using the Generalized Gradient Approximation (GGA) functional.

Facile Synthesis of ZIF-67 for the Adsorption of Methyl Green from Wastewater: Integrating Molecular Models and Experimental Evidence to Comprehend the Removal Mechanism.

Organic dyes with enduring colors which are malodorous are a significant source of environmental deterioration due to their virulent effects on aquatic life and lethal carcinogenic effects on living organisms. In this study, the adsorption of methyl green (MG), a cationic dye, was achieved by using ZIF-67, which has been deemed an effective adsorbent for the removal of contaminants from wastewater. The characterization of ZIF-67 was done by FTIR, XRD, and SEM analysis.

Synthesis, Molecular Docking Study, and Cytotoxicity Evaluation of Some Novel 1,3,4-Thiadiazole as Well as 1,3-Thiazole Derivatives Bearing a Pyridine Moiety.

Pyridine, 1,3,4-thiadiazole, and 1,3-thiazole derivatives have various biological activities, such as antimicrobial, analgesic, anticonvulsant, and antitubercular, as well as other anticipated biological properties, including anticancer activity. The starting 1-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2)-yl)-3-phenylthiourea () was prepared and reacted with various hydrazonoyl halides - α-haloketones -, 3-chloropentane-2,4-dione and ethyl 2-chloro-3-oxobutanoate , which afforded the 3-aryl-5-substituted 1,3,4-thiadiazoles - 3-phenyl-4-arylthiazoles - and the 4-methyl-3- phenyl-5-substituted thiazoles , respectively. The structures of the synthesized products were confirmed by spectral data.