The inhibition of acetylcholinesterase (AChE), an enzyme responsible for the inactivation and decrease in acetylcholine in the cholinergic pathway, has been considered an attractive target for small-molecule drug discovery in Alzheimer's disease (AD) therapy. In the present study, a series of TZD derivatives were designed, synthesized, and studied for drug likeness, blood-brain barrier (BBB) permeability, and adsorption, distribution, metabolism, excretion, and toxicity (ADMET). Additionally, docking studies of the designed compounds were performed on AChE. Additionally, all the TZD derivatives (CHT1-5) showed an acceptable affinity for AChE inhibition, and the results showed convincing binding modes in the active site of AChE. Among them, 5-(4-methoxybenzylidene) thiazolidine-2,4-dione (CHT1) was identified as the most potent AChE inhibitor (IC of 165.93 nM) with the highest antioxidant activity. Following the exposure of PC12 cells to Aβ1-42 (100 μM), a marked reduction in cell survival was observed. Pretreatment of PC12 cells with TZD derivatives had a neuroprotective effect and significantly enhanced cell survival in response to Aβ-induced toxicity. Western blotting analysis revealed that CHT1 (5 and 8 μM) downregulated p-Tau and HSP70 expression levels. The results indicate that CHT1 is a promising and effective AchE-I that could be utilized as a powerful candidate against AD.

Bioactive films composed of Spiro-OMeTAD, a conductive molecular material (CMM), in combination with collagen have been manufactured and characterised for the first time. In-vitro cellular testing demonstrated the non-cytotoxicity of the doped Spiro-OMeTAD /Collagen films, opening the way for implantable or wearable medical devices and biosensors based on molecular materials.

One of the key parameters that affects efficiency, power density and performance of a supercapacitor (SC) is the equivalent series resistance (ESR). In this study we propose a method to estimate ESR from the charging kinetics which has practical applications. Therefore, to study the ESR of the SC we must look at the different factors that affect this resistance. In this study, the rise time extracted from the charging kinetics curves of the SC was used as an indirect method to investigate the ESR of the SC. Three different parameters were taken into account: ionic mobility, solvent material and pore cavity size of the porous electrode. The results offer enlightening information for optimizing the design of the SC with higher performance and smaller ESR values that will be translated into a better energy storage technologies.

Tributyl(ethyl)phosphonium oxopentenolate ([P][Pen]) is an ionic liquid developed to capture CO and has shown ability to catalyze carbonylation reactions in organic chemistry. Carbon-11 (C, t=20.4 min) labeled CO is a highly versatile building block for the synthesis of positron emission tomography (PET) radiotracers that are applied for medical imaging. The use of [C]CO is limited by its low solubility in organic solvents. Herein, we report a proof-of-concept study evaluating a new method to prepare C-labeled amides, ureas and carbamates via reaction of [C]CO in [P][Pen] and applied for fully automated radiosyntheses of Bruton's tyrosine kinase inhibitors, [C]evobrutinib and [C]ibrutinib.

Gem-diols are defined as organic molecules carrying two hydroxyl groups at the same carbon atom, which is the result of the nucleophilic addition of water to a carbonyl group. In this work, the generation of the hydrated or hemiacetal forms using pyridine- and imidazole-carboxaldehyde isomers in different chemical environments was studied by Nuclear Magnetic Resonance (NMR) recorded in different media and combined with theoretical calculations. The change in the position of aldehyde group in either the pyridine or the imidazole ring had a clear effect in the course of the hydration/hemiacetal generation reaction, which was favored in protic solvents mainly in the presence of methanol. For pyridinecarboxaldehydes, the acidity/basicity degree of the reaction medium influenced not only the generation of the gem-diol or hemiacetal forms but also the oxidation to the corresponding carboxylic acid. However, imidazolecarboxaldehyde was found to be less reactive to the nucleophilic addition of water and methanol than the other compounds in all the environments evaluated. Furthermore, both the gem-diol/hemiacetal generation and the Cannizzaro reaction products were studied in alkaline medium.

This study explores the synthesis of ZSM-5 zeolite using high-purity mesoporous silica exclusively derived from coal fly ash (CFA), eliminating the need for additional silica or alumina sources. Traditional ZSM-5 synthesis relies on costly and environmentally harmful pure chemicals, whereas this approach utilizes CFA, an industrial byproduct, addressing both cost and sustainability concerns. The synthesized ZSM-5 zeolite demonstrates exceptional purity, with a surface area of 455.24 m/g, and exhibits unique structural properties, confirmed through XRD, SEM, TEM, FTIR, TGA, and BET analyses. This method highlights the potential of CFA-derived silica as a sustainable feedstock for zeolite production, promoting both environmental sustainability and cost-effective industrial applications in catalysis, adsorption, and separation processes.

Quinazolines/quinazolin-4-ones are significant nitrogen-containing heterocycles that exist in various natural products and synthetic scaffolds with diverse medicinal and pharmacological applications. Researchers across the globe have explored numerous synthetic strategies to develop safer and more potent quinazoline/quinazolinone analogues, particularly for combating cancer and microbial infections. This review systematically examines scholarly efforts toward understanding this scaffold's synthetic pathways and medicinal relevance, emphasizing the role of metal and non-metal catalysts and other reagents in their synthesis. Additionally, the article discusses selected compounds' anticancer and antimicrobial properties, with a brief look into their structure-activity relationships.

5-Enolpyruvylshikimate-3-phosphate synthase (EPSPS) catalyzes the conversion of 5-enolpyruvate (PEP) and shikimic acid phosphate (S3P) to 5-enolpyruvylshikimic acid-3-phosphate (EPSP), releasing inorganic phosphate. This reaction is the sixth step of the shikimate pathway, which is a metabolic pathway used by microorganisms and plants for the biosynthesis of aromatic amino acids and folates but not in mammals. In the present study, the detailed reaction mechanism of EPSPS from Nicotiana tabacum (NtEPSPS) is revealed by quantum chemical calculations with the cluster approach. The reaction is proposed to involve the formation of a carbocation intermediate, the formation of a tetrahedral intermediate, the C-O bond cleavage and the re-formation of C=C bond. All four steps are concerted processes involving proton transfer events. The calculations suggest a step-wise mechanism for the formation of the tetrahedral intermediate by the proton transfer from the hydroxyl group of S3P to Asp331 and the nucleophilic attack of hydroxyl group on the carbocation, which is consistent with the proposal in literature. The energy profile for the entire reaction is presented, showing that C-O bond cleavage of the tetrahedral intermediate, releasing phosphate, is the rate-limiting step. The interaction between the Glu359 residue and the phosphate group is significant in stabilizing the phosphate.

To better understand how the biocatalyzed depolymerization of polyesters works, model molecules are needed to develop activity assays and determine enzymatic kinetic parameters. In this communication the chemical synthesis and characterization of 2-hydroxyethyl furan-5-carboxylic acid and bis(2-hydroxyethyl) furan-2,5-dicarboxylates as potential model molecules to further study the enzymatic depolymerization of poly(ethylene furanoate) was investigated.

Conversion of glycerol to added-value products is desirable due to its surplus during biodiesel synthesis. TiO has been the most explored catalyst. We performed a systematic study of glycerol adsorption on anatase (101), anatase (001), and rutile (110) TiO at the Density Functional Theory level. We found several adsorption modes on these surfaces, with anatase (101) being the less reactive one, leading to adsorption energies between -0.8 and -0.4 eV, with all adsorptions molecular in nature. On the contrary, anatase (001) is the most reactive surface, leading to both molecular and dissociative adsorption modes, with energies ranging from -4 to -1 eV and undergoing severe surface reconstructions in some cases. Rutile (110) also shows both molecular and dissociative adsorptions, but it is less reactive than anatase (001). Surfaces with oxygen vacancies affects the adsorbed states and energies. The electronic structure analysis reveals that glycerol adsorption mainly affects the band gap of the material and not the individual contributions to the valence and conduction band. Bader charge analysis shows that strong adsorption modes on anatase (001) and rutile (110) are associated with large charge transfer from glycerol to the surface, while weak and molecular adsorption modes involve low charge transfer.

Nanoparticles enhance agricultural applications with their bioactivity, bioavailability, and reactivity. Selenium mitigates the adverse effects of salinity on plant growth, boosting antioxidant defense, metabolism, and resilience to abiotic stress. Our study applied selenium nanoparticles to mitigate salinity-induced damage and support plant growth. We characterized green-synthesized nanoparticles and analyzed stress-related metabolites, antioxidant activities (DPPH, ABTS), phenolic content, and reducing powers (CUPRAC, FRAP). Nanoparticle applications reduced proline and MDA levels while boosting chlorophyll, carotenoids, antioxidant activity (DPPH, ABTS), and total phenolic content. An increase was also observed in CUPRAC and FRAP reducing capacities. In terms of phenolic content, the highest value was determined in SA (4.58±0.40 mg GAE g) application; DPPH free radical scavenging activity IC50 value was determined in A (0.13±0.007 mg mL) application, which was closest to the positive control. The lowest proline level was found in A (15.00±0.64 nmol g FW) and the lowest MDA level was found in SA (10.08±0.42 nmol g). Comparing the results, green synthesis of selenium nanoparticles using Sternbergia candida (SC-SeNP) at different concentrations showed ameliorative effects on various parameters in plants, and it was determined that the effects of salt stress on pepper plants were reduced following SC-SeNP applications.

The direct electrochemical carboxylation of aryl, benzyl and alkyl halides by CO is described using a magnesium anode and a nickel foam cathode in an undivided cell. The process employs a sacrificial anode and does not require the additional use of a transition metal catalyst or demanding conditions, as the reactions are carried out under galvanostatic mode, at -10 °C and with commercial DMF. Under these operationally simple conditions, an important range of carboxylic acids are affordable. Mechanistic investigation account for the in situ generation of a carbanionic species that is not a simple organomagnesium halide.

The rapid proliferation of internet-connected devices has transformed our daily habits prompting a shift towards greater sustainability in renewable energy for indoor applications. Among the various technologies available for obtaining energy in indoor conditions, Dye-Sensitized Solar Cells (DSSCs) stand out as the most promising due to their ability to efficiently convert ambient light into usable electricity. This study explores how the optimal matching of the UV-Vis absorption spectra of dyes commonly used in DSSCs with the emission profiles of indoor lamps allows for the enhanced efficiency of DSSC under indoor lighting. By testing four organic dyes with different UV-Vis absorption spectra (L1, Y123, S1, and TP1) under two different common indoor light sources (OSRAM 930 and OSRAM 765 lamp), a significant dye-lamp correlation was demonstrated. Notably, low-priced dyes like S1 and TP1, characterized by easier synthetic routes and with an optimal overlap with the dye-lamp spectrum, exhibited competitive efficiencies, narrowing the performance gap with high-performing dyes like Y123, which require more demanding preparation approaches. The study highlights the critical importance of tailoring dye selection to specific indoor lighting environments, addressing a significant gap and paving the way for more sustainable and cost-effective energy solutions for indoor applications.

This study investigates the antioxidant, antimicrobial, and anticancer properties of Pancratium maritimum L. in Sp. Pl.: 291 (1753) seeds and flowers. Antioxidant activity was assessed using DPPH free radical scavenging and iron chelation assays. Antimicrobial evaluations assessed the efficacy of the extracts against diverse microorganisms. Cell viability assays were conducted on the dukes c colon cancer (SW480), while gas chromatography-mass spectrometry (GC-MS) analysis facilitated the identification of bioactive compounds. The ethanol extract of P. maritimum seeds exhibited a total phenolic content of 296.89±14.53 mg GAE/g extract DW and a total flavonoid content of 361.03±20.18 mg QE/g extract DW. Conversely, the flower extract showed a total phenolic content of 95.03±7.22 mg GAE/g extract DW and a total flavonoid content of 272.12±16.42 mg QE/g extract DW. As a result, the ethanol extract of P. maritimum seeds contains higher phenolic and flavonoid contents than the flower extract. Antimicrobial evaluations demonstrated significant inhibitory effects of both seed and flower extracts, with minimum inhibitory concentration (MIC) values ranging from 25 to >50 mg/mL. Notably, the seed extract showed greater activity against E. coli and C. krusei. GC-MS analysis identified 18 bioactive compounds in the seed extract and 16 in the flower extract, with crucial components including ethyl oleate and 5-hydroxymethylfurfural. Additionally, cell viability assays revealed that ethanol extracts from seeds and flowers significantly reduced SW480 cell viability, particularly at doses of 750 μg/mL and 250 μg/mL, respectively. These findings underscore the therapeutic potential of P. maritimum in terms of its antioxidant, antimicrobial, and anticancer properties, highlighting its value as a natural source of antioxidants and antimicrobial agents. Furthermore, the molecular docking study emphasises strong binding interactions of key compounds, particularly ethyl oleate and hexadecanoic acid ethyl ester, with the human STARD10 protein. The biological interactions and health implications of P. maritimum provide a significant foundation for future research in drug development and therapeutic applications.

Thermodynamic properties of amino acids explore the ideas about the energetic contribution in biomolecular interfaces. In our work, we have estimated the solvation free energy of leucine and isoleucine peptides with the variation of chain length or residues of different monomer units (n=1, 2, 4, 8 & 16) using molecular dynamic simulation. We modeled our system using OPLS-AA force field and TIP3P water model at 310 K temperature. Solvation free energy of both leucine and isoleucine peptides increases with increase in chain length, which have been reported by using TI, TI-CUBIC and BAR methods. The increase in solvation free energy with increase in chain length of both peptides is also supported by the increase in hydrogen bond and solvent accessible surface area (SASA) with the number of residues.

1,2-Phenylene tetraurea macrocycles recently attracted attention as self-assembled channel-making compounds with high selectivity to chlorides. Here, we report on the introduction of aliphatic chains in the periphery of the 1,2-phenylene tetraurea macrocycle, which led to deterioration in the ability of the macrocycle to form channels and to a reversal of anion binding preferences in favour of dihydrogen phosphate. In addition, we have developed a new method of synthesis of 1,2-phenylene tetraurea macrocycle, using a direct click of two diamino ureido derivatives by triphosgene in the presence of chloride template. This approach saves time and eliminates demanding isolation of the non-cyclic tetrameric intermediates.

Self-powered devices for human motion monitoring and energy harvesting have garnered widespread attention in recent research. In this work, we designed a honeycomb-structured triboelectric nanogenerator (H-TENG) using polyester cloth and Teflon tape, with aluminum foil as the conductive electrode. This design leverages the large surface area and flexibility of textiles, resulting in significant performance improvements. The H-TENG achieves an output voltage of 350 V, an output current of 42 μA, and a transfer charge (Q) of 77 nC, with a maximum output power of 465 μW. Additionally, the H-TENG demonstrates the ability to monitor running activities and various gait patterns, providing real-time bio-mechanical data for smart running applications. The introduction of a stacked structure further enhances the output performance by increasing contact area and scalability, making the H-TENG a robust and high-performance energy harvester suitable for advanced wearable and flexible electronics.

An efficient microwave-assisted synthesis route for novel oxazolidinone analogues has been developed. The general synthesis of these compounds began with an L-proline-mediated three-component Mannich reaction between commercially available 3-fluoro-4-morpholinoaniline, aqueous formaldehyde and α-hydroxyacetone. This was followed by a one-step cyclisation to form the core structure of oxazolidinone antibiotics which was subsequently derivatized. The novel compounds were evaluated for their antibacterial activity against M. smegmatis. One of the novel oxazolidinone derivatives 18 a1 produced a MIC of 8 mg/L, comparable with the commercial Rifampicin. The methodology is a useful addition to the field since it can make highly sought-after oxazolidinone derivatives, using cheaper, less harsh commercially available reagents, in a short time and one pot.

High-entropy alloys (HEAs), containing five or more elements in equal proportions, have recently made significant achievements in materials science due to their remarkable properties, including high toughness, excellent catalytic, thermal, and electrical conductivity, and resistance to wear and corrosion. This study focuses on a HEA composed of 23Fe-21Cr-18Ni-20Ti-18Mn, synthesized via ball milling. The alloy was treated with hydrochloric acid (HCl) to enhance its active surface area. The untreated HEA and the HCl-treated HEA (HEA-T) were then evaluated as potential cathode materials for supercapacitors (SCs). X-ray diffraction (XRD) and energy-dispersive X-ray spectroscopy (EDX) confirmed that the HEA's composition and crystalline structure remained stable during acid treatment, with no new phases forming. The acid treatment significantly increased the surface area by ~20 times, the pore volume by ~10 times, and improved microstructural homogeneity. The HEA-T electrode demonstrated superior specific capacitance, lower internal resistance, and better cycling stability than the untreated HEA electrode. At 0.5 A/g current density, the specific capacitance (Csp) of the HEA-T was 600 F/g, approximately two times higher than the untreated HEA. This enhanced performance suggests that the HEA-T electrode could lead to the development of high-performance SCs.

The alga contains salt and heavy metals that are accumulated in algae poses a significant challenge to the safe use of algae in soil fertilization and other applications. This study examines the relevance of algal biomass as an environmentally friendly fertilizer, thereby contributing to sustainable coastal management practices. In this study, the hot and cold extraction method were done to obtain the Ulva rigida extract. Heavy metals such as vanadium, chromium, manganese, iron, nickel, cobalt, copper, zinc and cadmium etc. were analyzed using ICP-MS. Heavy metal analysis showed that the major metals such as manganese, iron, vanadium and zinc in Ulva rigida extract. The algae extract was used in different concentration (20, 40, 60 and 80 μL) to analyze the seed germination study in Pennisetum glaucum and it was found that theseed germination were 100 % at 5 day after sowing and the root and shoot length increased with increasing concentration of Ulva rigida extract and at 80 μL the shoot length of Pennisetum glaucum were decreased. The aqueous extracts of Ulva rigida are eco-friendly, safe method for recycling the algal biomass as a novel biofertilizer.

The growing demand for detection and sensing in the biomedical field is placing higher demands on technology. In clinical testing, it is expected to be able to realize both rapid large-field imaging and analysis of single particles (or single molecules or single cells), and it is expected to be able to grasp both the unique individuality of single particles in time and space during the complex reaction process, as well as the regular correlation between single particles in the same population distribution. Supported and promoted by the theory of localized surface plasmon resonance (LSPR), dark-field microscopy, as a single-particle optical imaging technique with a very high signal-to-noise ratio, provides a powerful new means to address the above clinical detection needs. This review will focus on the innovative applications of dark-field microscopy in biomedical-related assays in the past five years, introducing the basic principles and listing the impressing works. We also summarize how dark-field microscopy has been combined with other techniques, including surface-enhanced Raman scattering, fluorescence, colorimetry, electrochemistry, etc., to witness the joint progress and promotion of detection methods in the future. It also provides an outlook on the current challenges and future trends in this field.