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Abstract The regulatory role of zinc in bone formation extends to the activation of proteins associated with bone homeostasis. Furthermore, copper is well known for its antibacterial properties. This dual function underscores the significance of zinc and copper in maintaining a balance of bone structure and function. In light of the aforementioned, zinc sulphide/copper oxide nanocomposites were created in this instance using a straightforward coprecipitation technique. Copper oxide was used as a nanocomposite to improve the structural, morphological, and biological performance of zinc sulphide nanoparticles. The X-ray diffraction pattern confirmed a transformation in the crystal structure from cubic to rhombohedral, along with increase in intensity. Fourier transforms infrared analysis indicated the presence of functional groups. Scanning electron microscopy images demonstrated a morphological shift from non-uniform to distinct spherical nanoparticles, impacting the enhancement of material properties. The pathogenic activity of the zinc sulphide/copper oxide nanocomposites was tested against nine bacterial strains. In antimicrobial testing, zinc sulphide/copper oxide nanocomposites showed promising results, particularly against Klebsiella pneumoniae (zone of inhibition: 14 mm at 100 µg/mL compared to 7 mm by standard) and Escherichia coli (zone of inhibition: 11 mm at 100 µg/mL compared to 10 mm by standard) after 24 h with zone of inhibition matching or exceeding that of the standard (chloramphenicol). Zinc sulphide nanoparticles and zinc sulphide/copper oxide nanocomposites were evaluated for their antifungal activity against fungal stains from Trichophyton rubrum, Aspergillus niger, and Aspergillus flavus. After a 24-h period, it was discovered that zinc sulphide/copper oxide nanocomposites were effective against Aspergillus flavus (zone of inhibition: 19.4 mm at 100 µg/mL compared to 6.3 mm by standard) at all concentrations (25–100 mg/mL), with zones of inhibition identical to or greater than those of the standard (fluconazole). Certainly, based on these results, zinc sulphide/copper oxide nanocomposites could be promising materials for drug delivery. Clinical trial registration: Not applicable.

Abstract Five dimethylamino-based chalcone derivatives (AC) were synthesized and evaluated for their inhibition degree against monoamine oxidase (MAO) enzymes. All AC compounds showed better inhibitory activity against MAO-B than that against MAO-A. AC4 showed the highest inhibitory ability with an IC50 value of 0.020 µM, similar to that of a reference drug safinamide (IC50 = 0.019 µM) against MAO-B, followed by AC1 (IC50 = 0.068 µM) and AC3 (IC50 = 0.083 µM). Substituent -F in ring A (AC4) increased the MAO-B inhibition, followed by -H (AC1), -Br (AC3), and -Cl (AC2). The selectivity index (SI) value of AC4 was high (SI = 82.00) as well as other compounds (44.41 to 98.15). AC4 was found to be a reversible inhibitor as confirmed through analysis using the dialysis method. Interestingly, AC4 was observed to be a noncompetitive MAO-B inhibitor with a rare case and with Ki values of 0.011 ± 0.0036 µM. These experiments confirmed that AC4 is a reversible and potent selective inhibitor of MAO-B. Molecular docking experiments revealed that AC4 showed the highest inhibitory activity with a docking score (-9.510 kcal/mol). A study using molecular dynamics modeling revealed that the protein–ligand complex was more stable. It was observed that AC4 was non-cytotoxic in the study using L929 cell line. In conclusion, compound AC4 shows promise as a MAO-B inhibitor.

The primary aim of the present work is to make a theoretical evaluation of electronic structure for 2-(2-hydroxy-5-methoxybenzylidene)hydrazinecarbothioamide (HMHC) and 2-(2-hydroxy-5methoxybenzylidene)-N-methylhydrazinecarbothioamide (HMNHC). Subsequently, we also aim to compute molecular electronic properties such as FMO, NBO, NLO, MESP and Fukui functions to compare them with their corresponding experimental values, wherever available. To this end we made geometry optimization for HMHC and HMNHC using DFT/B3LYP/6–311++G(d,p) formalism. The computations identified the existence of both intra-molecular and bifurcated intra-molecular hydrogen bonds in both the molecules. Time-dependent density functional theory (TD-DFT) was employed to simulate Ultra-Violet spectra for both HMHC and HMNHC in order to substantiate experimental spectra in a solution of dimethyl formamide. For the two compounds under investigation, specific global reactivity descriptors were estimated with the help of frontier molecular orbital (FMO) analysis to understand the origin of UV–Vis spectra. Nonlinear optical (NLO) profile, for each of the two molecules, was computed, with in the frame work of the DFT/B3LYP/6–311++G(d,p) formalism to determine their utility for NLO applications. NBO analysis of hyper conjugate interactions made it possible to interpret the molecules NLO behavior in terms of intramolecular charge transfer (ICT). The reactive sites around the molecules were identified using Fukui function investigations. It is heartening to note that all parameters computed in this work for both HMHC and HMNHC compare reasonably well with their available experimental values.

A bioactive film was developed using cricket (Acheta domestica) protein (Cric-Prot) and Caralluma fimbriata extract-based nanoparticles [Car-Fim-NPs (0.0, 1.0, 2.0, and 3.0 % w/v)] to augment the storage stability and functional value of cheddar cheese (Ched-Chee). The Car-Fim-NPs were developed using an ultrasonication-mediated (20 kHz, 500 W, 10 min, pulse duration of 5/5 s on/off) green method. The addition of Car-Fim-NPs modified the film characteristics [density (%), WVTR (mg/mt2), transmittance (%), elongation at break (%), and colour (L*, a*, b*)] and enhanced its antioxidant [DPPH, ABTS and FRAP activities, total phenolic and flavonoid contents, and antioxidant release (%)] and antimicrobial (inhibitory halos against E. coli and S. aureus) potential. Application of the films containing Car-Fim-NPs (1.0–3.0 %) increased the antioxidant potential (DPPH, ABTS and FRAP activities), lipid (TBARS and free fatty acids) and protein (total carbonyl content) oxidative stability, and microbial quality (microbial counts) of the Ched-Chee during 90 days of storage. The sensory quality of Ched-Chee showed a significant increase after day 30 till the storage end. Gastrointestinal digestion simulation augmented the antioxidant potential of Ched-Chee. Overall, the results indicate the possibility of the use of Cric-Prot-based film containing Car-Fim-NPs to enhance the storage quality of Ched-Chee.

In this study, a series of platinum (Pt)-doped strontium iron oxide (SrFe2O4) catalysts with varying particle sizes were synthesized through the four different catalysis synthesis methods such as solution combustion synthesis (SCS), co-precipitation (Co-PPT), oxalic acid assisted sol-gel (OXA) and, hydrothermal (HT). The objective was to investigate the impact of particle size on the catalytic activity and long-term stability of these four catalysts. The XRD and Raman results confirmed the formation of the SrFe2O4 perovskite structure. HRTEM, SEM, and other characterizations revealed a clear correlation between the synthesis conditions and the resulting particle sizes. The highest%CH4 conversion was around 95 % for the catalyst prepared through Solution combustion synthesis and the catalyst was found to be thermally stable up to. 100 h at 800 °C with a negligible variation of conversion while maintaining the H2/CO ratio at 2.0. To gain insight into catalytic activity, stability, and selectivity of catalysts we have performed Temperature-programmed surface reaction (TPSR) at a controlled temperature ramping program. This study also includes the study of coke deposition on the spent catalysts through different characterization techniques. Furthermore, we have performed a kinetic study to find the initial rate of the reaction and the activation energy of the Pt-doped SrFe2O4 catalyst and it has been found that activation energy was 35 KJ/mol for the catalyst Pt/SrFe2O4 synthesis through the solution combustion method.

p-Nitrophenol (PNP) is a nitroaromatic compound that poses a significant threat to human health and the environment due to its carcinogenic, mutagenic, cytotoxic, and embryotoxic properties at low concentrations. Therefore, the selective and sensitive detection of PNP is crucial for both human health and environmental monitoring. Boron (B) and Nitrogen (N) doped quantum dots (B,NQDs) have been found to be effective as blue-green luminescent materials for this purpose. These B,NQDs were synthesized using a one-step hydrothermal method, resulting in the formation of highly stable quantum dot. The addition of trace amounts of PNP, the luminescence of the B,NQDs was significantly quenched, which was found to be linearly dependent on the PNP concentration in the range of 100pM to 6 μM. Further analysis of steady-state absorption and emission, along with photoluminescence decay dynamics, revealed the formation of both static and dynamic quenching complexes. Our simple fluorimetry-based sensor demonstrated an impressive limit of detection (LOD) of 9.08 nM, making it highly selective and sensitive for the detection of PNP. Additionally, the B,NQDs exhibited exceptional stability with respect to pH, UV exposure, salinity, and storage conditions. Finally, we successfully demonstrated the detection of PNP in real water systems and pesticides.

Nowadays, nanotechnology is extensively employed in the medical profession. In this study, we used the aqueous extract of the bark of Mitragyna parvifolia to synthesize silver nanoparticles (AgNPs) by microwave-assisted green synthesis. The synthesis of AgNPs was confirmed by visual color change to brown color and characteristic surface plasmon resonance peak at 432 nm. The hydrodynamic diameter of the AgNPs was 171.81 nm having a zeta potential of −24.14 mV; Fourier Transmission Infrared Spectroscopy confirmed the presence of different functional groups on the NP surface; Scanning Electron Microscope and High-Resolution Transmission Electron Microscopy indicated predominantly circular shape of nanoparticle; Selected Area Electron Diffraction and X-ray Diffraction analyses determined the crystalline structure of AgNPs. Energy-Dispersive X-ray indicated the elemental composition and formation of AgNPs. The AgNPs were screened at different concentrations for antioxidant activity, antimicrobial, and anticancer potential in breast cancer cells (MCF-7 and MDA-MB-231). The AgNPs exhibited remarkable antioxidant, antimicrobial, and anticancer activities. The sedative and antinociceptive activities were also tested on Swiss albino mice, which showed mild sedative and very potent antinociceptive activity. However, detailed mechanistic studies are warranted in the future for clinical application of the AgNPs as a biologically active agent as well as a carrier for drug delivery.

In the present study, Co/Zn doped α-Fe2O3 (Hematite) nanoparticles (NPs) were synthesized using polyvinylpyrrolidone (PVP) and Azadirachta indica (AI) leaves aqueous extract. The analytical techniques including XRD, UV, SEM, EDX, VSM, Raman, and FTIR, we were able to identify and characterize the structural, morphological and magnetic attributes of the synthesized NPs. The findings demonstrated that the synthesized NPs exhibit homogeneous spherical shapes with particle sizes ranging from 8.64 to 15.32 nm. The NPs have rhombohedral crystal lattices, with crystallite sizes of 23.25 nm for chemically synthesized doped α-Fe2O3 NPs and 12.52 nm for those synthesized using green methods. The magnetic study has shown that the saturation magnetization (Ms) value of NPs, which ranges from 36 to 45 emu/g at ambient temperature, exhibits superparamagnetic properties (300 K). The treatment of industrial wastewater and its reuse for agricultural purposes are the subjects of the current study. Different concentrations of doped α-Fe2O3 NPs were used as photocatalysts to degrade dyes in a bioreactor under UV light in a heterogeneous mixture. The degradation rates achieved were 96.42 % for Congo Red (CR) and 98.36 % for Eosin Yellow (EY). DPPH assays were conducted to evaluate the antioxidant activity of the synthesized doped α-Fe2O3 NPs. The percentage inhibition of DPPH radicals ranged from 71.13 % to 90.35 %. Our findings indicate that AI leaf extract holds promise as a valuable resource for the development of bioactive compounds and environmentally friendly approaches to synthesizing green NPs. This is primarily attributed to the increased accessibility of bioactive components with potent antioxidant properties. The combination of these benefits provides opportunities for novel uses in environmental cleanup, biological applications, and energy conversion.

In this work, ZnO has been synthesized by co-precipitation method and mixed with 0.5 % of polyvinyl alcohol for the preparation of thin film. These ZnO thin films have been irradiated with lithium (Li) and nickel (Ni) beams of energy 50 MeV and 80 MeV respectively, at different fluence. XRD pattern reveals that the crystallite size varies from 41 nm to 21 nm for Li-irradiated ZnO and to 16 nm for Ni irradiated ZnO compared to pure ZnO. From UV–Visible spectroscopy, the bandgap of Li-irradiated ZnO to a fluence of 5 × 1012 ions/cm2 is found to be 3.20 eV However, for Ni-irradiated ZnO bandgap varies from 3.11 to 3.08 eV Upon investigation of PL spectra, it has been observed that broadening in the defect region is observed on increasing the Li fluence. However, Ni-ions lead to enhancement of defects with increase in fluence. Electrical properties reveal the enhancement of current in order of three for both the ions irradiated ZnO. Li irradiation leads to reduction in resistivity whereas Ni irradiation leads to the enhancement in ZnO resistivity. This suggests that the ion beam induced modification in ZnO lattice could be useful for tuning the optoelectronic properties & can be used for organic light emitting diodes.

Abstract Ten isatin-based hydrazone derivatives were synthesized using two subseries, IA (isatin + acetophenone) and IB (isatin + benzaldehyde), and evaluated for their monoamine oxidases (MAOs) inhibitory activity. All the compounds showed stronger MAO-A inhibition than MAO-B, and the IB series showed more effective MAO-A inhibitory activity than IA series. Compound IB4 most potently inhibited MAO-A (half maximal inhibitory concentration IC50 = 0.015 µM), followed by IB3 (IC50 = 0.019 µM). On the contrary, compound IB3 showed the highest MAO-B inhibition (IC50 = 0.068 µM), followed by IB4 (IC50 = 1.87 µM). Compound IB3 and IB4 had low selectivity indices of 3.68 and 8.50, respectively. Structurally, the methyl group of IA series decreased the inhibition of both MAO-A and MAO-B. Among them, IB3 and IB4 (4-Cl and 4-Br in B-ring, respectively) showed higher MAO-A and MAO-B inhibition than the other substitutions. Inhibition constant Ki values of IB3 and IB4 for MAO-A were 0.0088 and 0.0063 µM, respectively, and those for MAO-B were 0.048 and 0.060 µM, respectively. IB3 and IB4 were competitive, reversible inhibitors of MAO-A and MAO-B. Molecular docking analysis predicted that IB3 and IB4 formed stable hydrogen bonds between Asn181 and the NH atom of isatin in the ligand-protein complex. Dynamic analysis revealed that IB3 and IB4 are stable with both MAO isoforms. These observations suggest IB3 and IB4 are potent and reversible MAO-A and MAO-B inhibitors and both compounds can be used as therapeutic agents for neurological disorders.

Micro-electromechanical systems (MEMS) have the potential to provide low-power phase shifting in silicon photonics, but techniques for designing low-loss devices are necessary for adoption of the technology. Based on coupled mode theory (CMT), we derive analytical expressions relating the loss and, in particular, the phase-dependent loss, to the geometry of the MEMS phase shifters. The analytical model explains the loss mechanisms of MEMS phase shifters and enables simple optimization procedures. Based on that insight, we propose phase shifter geometries that minimize coupling power out of the waveguide. Minimization of the loss is based on mode orthogonality of a waveguide and phase shifter modes. We numerically model such geometries for a silicon nitride MEMS phase shifter over a silicon nitride waveguide, predicting less than −1.08 dB loss over a 2π range and −0.026 dB loss when optimized for a π range. We demonstrate this design framework with a custom silicon nitride process and achieve −0.48 dB insertion loss and less than 0.05 dB transmission variation over a π phase shift. Our work demonstrates the strength of the coupled mode approach for the design and optimization of MEMS phase shifters.

The choice of drying process plays a crucial role on the morphology, vis-a-vis the physicochemical properties, of carbon aerogel (CA). In this article the effect of four common drying processes, namely, open-air drying (OAD), modified open-air drying with solvent exchange (MOAD), freeze-drying (FD) and critical-point drying (CPD), on the morphological characteristics of carbon aerogel has been studied using a combination of gas adsorption measurements and small angle (neutron and X-ray) scattering. The investigations reveal a wide diversity in the pore-size distribution in the samples. OAD and MOAD results CA having predominantly micropores with the lowest specific surface area and mesopore area as a consequence of collapse of pores during the drying process. On the other hand, the FD leads to blending of micro-to-meso-porous structures and CPD results a meso-to-macro-porous material. The scattering analysis reveals that the average size of primary particles as well as the agglomerates is the largest for CPD with high polydispersity, due to the fusion of the gel particles at the applied high pressure while drying, and the lowest fractal dimension signifying more open and less dense structure. The Porod analysis confirms the higher surface area for CPD as well. The relative low number density, bigger sizes and small packing fraction for CPD-CA and FD-CA complement the trend as observed in the gas adsorption. Finally, inline with the observed morphological diversity, the electrochemical measurement showed that the CPD-CA and FD-CA maintained desirable capacitive behavior with specific capacitance of 89 and 91 F/g, respectively .

With the aim to develop a FRET-based viscosity sensor, two dyad molecules, 4 and 5, comprising tetraarylpyrrolo[3,2-b]pyrrole (TAPP) (donor) and naked boron-dipyrromethene (BODIPY) dyes (acceptor), were designed. Dyads were synthesized via acid-catalyzed multicomponent reactions followed by Sonogashira coupling. In both dyads, the BODIPY and TAPP moieties are linked through phenylethynyl groups, which allow free rotation of the BODIPY dyes; that is, they can act as molecular rotors. This was supported by X-ray crystallographic and DFT-optimized structures. Spectroscopic studies also confirmed the presence of both TAPP and BODIPY dyes in dyads with no electronic interactions that are suitable for fluorescence resonance energy transfer (FRET). Very high energy transfer efficiency (ETE >99%) from the donor TAPP moiety to the acceptor BODIPY moiety on excitation at the TAPP part was observed. However, due to the non-fluorescent nature of naked BODIPY dyes, no fluorescence emission was observed from the BODIPY moiety in both dyads. With increasing solvent viscosities, emission from the BODIPY moieties increases due to the restricted rotation of the BODIPY moieties. Plotting the logarithms of the fluorescent intensity of dyad 5 and the viscosity of the solution showed a good linear correlation obeying a Förster–Hoffmann equation. Non-fluorescent dyad 5 in methanol became greenish-yellow fluorescent in a methanol/glycerol (1:1) solvent. Furthermore, with an increase in the temperature of the methanol/glycerol (1:1) system, as the viscosity decreases, the fluorescence also starts decreasing. Thus, dyad 5 is capable of sensing the viscosity of the medium via a FRET-based “Off-On” mechanism. This type of viscosity sensor with a very large pseudo-Stokes shift and increased sensitivity will be useful for advancing chemo-bio sensing and imaging applications.

A novel quinoline based azo dye 5-((3-phenoxyphenyl)diazenyl)quinolin-8-ol (PPDQ) was synthesized using conventional one pot MCR pathway and its structure has been confirmed by multinuclear (1H & 13C) and mass spectral techniques. PPDQ subjected for remarkable analytical applications like anticorrosion potential for mild steel in acidic media. Further, the experimental results were compared with that of the theoretical DFT based calculations and found to be in good agreement with each other. To evaluate the pharmacological activity of the compound invitro antidiabetic and antioxidant activity were carried out. The corrosion inhibition potential of the PPDQ was explored using electrochemical method which exhibited maximum corrosion inhibition efficiency up to 77% on mild steel in 1 M HCl media, further the anticorrosion potential was confirmed by quantum chemical calculations (DFT, ESP diagrams). Antidiabetic activity and antioxidant potency was evaluated using DPPH, and ABTS radical scavenging assay. Further, the in-vitro values were compared with insilico molecular docking studies.

Summary: Cyclic-phospholipids-based vesicles can play a role in facilitating the chemical evolution of protocells from the structurally simple to the functionally more complex form. Here, we present a protocol for preparing decanoic acid-derived cyclic phospholipid and glyceryl-diester phosphate-containing vesicles. We describe steps for sample preparation, equilibration, and image acquisition using confocal microscopy. This protocol has the potential for preparing a wide variety of these phospholipid-based artificial cell constructs.For complete details on the use and execution of this protocol, please refer to Pulletikurti et al.1 : Publisher’s note: Undertaking any experimental protocol requires adherence to local institutional guidelines for laboratory safety and ethics.

The most prevalent type of cancer found in the world is lung cancer. Furthermore, chemotherapeutic intervention for lung carcinomas is frequently associated with severe off-target effects. As a result, there is a worldwide push to investigate alternative medicines with superior tolerance profiles, such as natural compounds, to substitute routinely used chemotherapeutics. The purpose of this study is to examine the anticancer potential of aloe (S1) and coconut (S2) extract-mediated CuInS2 (CIS) nanoparticles against non-small cell lung carcinoma (A549) cells. S1 and S2 both efficiently showed a dose-proportionate cytotoxic effect on A549 cells, while causing negligible toxic effects on normal healthy lung cells (WI-38), indicating their safety against healthy cells. Reduced cell viability was validated by acridine orange and ethidium bromide double staining, demonstrating that apoptosis was induced in A549 cells treated with both nanoparticles. In addition, the mitochondrial membrane potential was reduced by both nanoparticles, leading to an increase in ROS generation. Both nanoparticles increased caspase-3, caspase-9, and caspase-8 levels in A549 cells. To summarize, both nanoparticles induced apoptotic cell damage in A549 cells by targeting mitochondria, causing increased ROS production, activating the caspase cascade, and inducing apoptosis. Aloe (S1) and coconut (S2) extract-mediated CIS nanoparticles may represent viable therapeutic options for lung cancer management.

Integration of computational data science (CDS) into the university curriculum offers several advantages for students, faculty and the institution. This article discusses the benefits to students of introducing CDS into the university curriculum with a focus on developing skills in cheminformatics, data analysis, structure--activity relationships, modelling and simulation. Moreover, CDS can enable students to engage with complex chemical and toxicological data in new and dynamic ways, helping them to develop a more nuanced understanding of the potential hazards and risks associated with different chemicals and substances. On the other hand, it can foster greater collaboration between students and faculty and with external partners in industry and government. This can lead to the development of more effective and efficient toxicological testing methods and tools to screen chemicals for potential hazards and aid the development of environmentally friendly chemicals. Overall, the integration of CDS into the university curriculum will help prepare the next generation of scientists giving them a competitive edge to make considerable contributions to green chemistry, designing safer chemicals and non-animal testing methods. It will enable them to tackle modern challenges facing society including identifying safer and more sustainable chemicals and predicting the health and environmental impacts of novel chemical substances.

In this study, the primary focus revolves around the synthesis of zinc oxide (ZnO) and dysprosium-doped zinc oxide (Dy-doped ZnO) nanoparticles utilizing a green chemistry approach, employing Rhododendron arboreum petal extract as a key component. A thorough characterization of nanoparticles has been carried out, involving a range of analytical techniques including UV–visible spectroscopy, Fourier-transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDX), high-resolution transmission electron microscopy (HRTEM), selected-area electron diffraction (SAED), and fluorescence emission spectroscopy. The structural examination confirmed the persistent hexagonal wurtzite structure of ZnO nanoparticles, which remained unaltered even with Dy doping. The XPS analysis corroborated the presence of lattice oxygen in addition to confirming the presence of Dy3+ and Zn2+. The results indicated that the incorporation of Dy3+ ions replaces Zn2+ ions in host ZnO leading to an increase in the defects inside ZnO. Based on HRTEM images, the particle size was determined to be 31 nm for ZnO nanoparticles and 39 nm for Dy-doped ZnO nanoparticles. FESEM imaging unveils a morphology reminiscent of pebbles, and EDX spectra provide additional evidence of the presence of Zn, Dy, and O elements within the nanoparticles, which aligns with the findings from XPS. Subsequently, these synthesized nanoparticles were harnessed for the remediation of novacron brown, a textile dye. Additionally, nanoparticles were explored for their antibacterial and antifungal properties which highlight the considerable potential of these nanoparticles in these specific domains.

Nanoparticles of Zn2SiAl2O4 infused with Dy3+ were produced through a traditional co-precipitation approach. We investigated the particles' structural attributes and physical characteristics using tools such as X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), UV–Vis absorption spectroscopy, and photoluminescence (PL) spectrometry. The XRD outcomes validated the crystalline nature of the nanoparticles and showed the effective replacement of Dy3+ ions in the place of Zn2+ ions within the matrix and with increasing Dy concentration from 0.5 % to 1.25 %, the crystallite size decreased from 84 nm to 53 nm. The SEM visuals offered clarity on the shape, dimension, and spread of these particles. FTIR analysis further confirmed the composition and structure of the nanoparticles by identifying the chemical bonds and functional groups. UV–visible absorption spectroscopy revealed increase in the optical energy bandgap from 4.45 eV to 4.55 eV with increasing Dy3+ content, indicating potential for optical applications. The photoluminescence spectrometry results featured a prominent transition at approximately 646 nm, suggest that the phosphor has the capability to function as a vivid yellow light emitter and demonstrate their potential for application in optoelectronics, photonics, and luminescent materials.

A theoretical model of the equation of state based on Eulerian finite theory for high pressure has recently been reported by Singh et al. The adopted model successfully predicted the elastic properties of geophysical minerals and prototype solids and the results were also found favourable with experimental data. We have derived the expression for pressure dependence elastic moduli using the proposed model of the equation of state. In this study, the elastic constants of two hcp-transition metals ∼ Co and Re as function of pressure are computed using these formulated expressions. The obtained high-pressure elastic constants are found to be well consistent with the previous theoretical results and show a good agreement with the experimental results. As a result, the present study may play a vital role in geophysical applications.

Abstract Nine morpholine-derived halogenated chalcone derivatives (MHC1-MHC9) were synthesized, and their inhibitory activity against monoamine oxidase (MAO) was evaluated. MHC5 showed the highest inhibitory activity against MAO-B with an IC50 value of 0.065 μM, followed by MHC7 (IC50 = 0.078 μM) and MHC6 (IC50 = 0.082 μM). The para-F substituent MHC4 was also potent (IC50 = 0.095 μM). The selectivity index values of all the compounds were high for MAO-B over MAO-A, and the values for MHC5 and MHC4 were 66.15 and 80.11, respectively. MHC5 and MHC4 were competitive MAO-B inhibitors with Ki values of 0.024 ± 0.00062 and 0.041 ± 0.0028 μM, respectively. In reversibility tests, the changes in residual activity before and after the dialysis of MHC5 and MHC4 were similar to those of safinamide, a reversible MAO-B reference inhibitor. Additionally, molecular docking and dynamic simulations predicted that the lead molecules MHC5 and MHC4 could strongly bind to the MAO-B active site with docking scores of –10.92 ± 0.08 and –10.64 ± 0.14 kcal/mol, respectively. Additionally, MHC4 and MHC5 exhibited favorable ADME features, including blood–brain barrier permeability. The experiments confirmed that MHC5 and MHC4 are reversible and potent selective inhibitors of MAO-B and are promising candidates for the treatment of neurodegenerative diseases (human health).

This paper provides an overview of several secure boot architectures with a focus on key rotation. It expands on a practitioner note that the authors submitted to the 2023 IEEE Secure Development Conference. Key rotation is important due to the frequency of lost signing keys and the difficulty of managing secret keys for the long lifetimes of Industrial Internet of Things (IIOT) devices. Key rotation is not simple for IIOT due to limited resources during a secure boot process and the constraints of the firmware utilities that come from the chip vendors. This paper reviews and compares five common architectures for a secure boot that are seen across the IIOT community. For each architecture, it provides some key strengths and weaknesses associated with that architecture. The paper then provides a detailed comparison and analysis of the architectures to convince the IIOT community to move towards a strong use of certificates (instead of the traditional use of raw public keys). The intent of this paper is to provide a practitioner’s perspective on these challenges and the tradeoffs in hopes of inviting comments from chip vendors and the broader community.

The health of mechanical components can be assessed by analyzing the vibration and acoustic signals they produce. These signals contain valuable information about the component’s condition, often encoded within specific frequency bands. However, extracting this information is challenging due to noise contamination from various sources. Narrow-band amplitude demodulation presents a robust technique for isolating fault-related information within the signal. This work proposes a novel approach based on cluster-based segmentation for demodulating the signal and extracting the frequency band of interest. The segmentation process leverages the criteria of maximum L-kurtosis and minimum entropy. L-kurtosis maximizes impulsiveness in the signal, while minimum entropy signifies a low degree of randomness and high cyclo-stationarity, and both characteristics are crucial for identifying the desired frequency band. Simulations and experimental tests using vibration signals from different gears demonstrate the effectiveness of this technique. The processed envelope of the signal exhibits distinct improvements, highlighting the ability to accurately extract the fault-related information embedded within the complex noise-ridden signals. This approach offers a promising solution for accurate and efficient fault diagnosis in mechanical systems, contributing to enhanced reliability and reduced downtime.

Abstract Monoamine oxidases (MAOs) regulate neurotransmitters, and changes in their regulation lead to neurogenerative diseases (NDs). Therefore, MAO inhibitors are used to treat NDs. Ferulic acid, a phenolic compound found in various plant species, has been demonstrated to have a variety of biological functions, including anti-inflammatory, anticancer, and neuroprotective effects. In this study, ten ferulic acid hydrazide derivatives (FA1–FA10) were synthesized, and their ability to inhibit monoamine oxidase (MAO) enzymes was tested. Six candidates demonstrated a more pronounced pattern of inhibitory action against MAO-B than against MAO-A. FA3 had the highest inhibitory efficacy in MAO-B inhibition (IC50 value of 1.88 μM), followed by FA9 (2.08 μM). FA3 has a Ki of 1.92 ± 0.73 μM. A reversibility experiment of MAO-B inhibition by FA3 was conducted using dialysis, and the recovery pattern showed FA3 was a reversible MAO-B inhibitor with a similar recovery to safinamide, a reversible reference inhibitor. These results indicate that FA3 is an effective reversible MAO-B inhibitor. In molecular dynamics and docking, FA3 paired with pi-pi stacking helped stabilize the protein ligand in the active site of MAO-B. According to this study, lead compounds can be used as therapeutic agents to treat neurological conditions, such as Parkinson's disease (PD).

This study analyses the feasibility of utilizing waste slate particles as a strengthening component in affordable 3D-printed composite materials to address environmental issues associated with waste management. Composite filaments were created by incorporating waste slate particles (5 %, 10 %, and 15 % by weight) into an acrylonitrile butadiene styrene (ABS) matrix and subsequently evaluated for mechanical properties. A twin-screw extruder obtained the composite filaments, while test samples were produced using a 3D printer by fused deposition modelling. The developed composites have a gradual variation in evaluated properties, about an 8 % increment in hardness, and a 40 % increment in flexural and tensile modulus was noted on the inclusion of 15 wt% of waste slate particles in the ABS matrix. The composites filled with 10 wt% and 5 wt% waste slate particles exhibited the maximum flexural strength (65.24 MPa) and tensile strength (42.11 MPa), respectively. These values were 5 % and 8 % higher than those of unfilled ABS. Furthermore, it was shown that the ABS matrix saw a decrease in elongation and impact strength as the dosage of slate particles increased. The fractured surface morphology indicated that filament breaking, filler pullout, and the creation of voids between neighbouring layers were the primary causes of material failure. The dynamic mechanical analysis (DMA) results show the reinforcing effect of slate particles by an increase of storage modulus with 13 % at 35 °C for the composite with 10 wt% slate particles and 20 % for that with 15 wt% slate particles. DMA results analyzed the composite's adhesion factor, degree of entanglement, reinforcement efficiency factor, and effectiveness factor to clarify the reinforcing mechanism of slate particles. The study determines that the most effective utilization of waste slate particles in an ABS matrix is achieved by including 10 wt%. The results of this study enhance the concept of recycling waste slate powder and reveal the potential for their utilization in several industries, including the aerospace, automotive, healthcare, and architectural sectors of 3D printing.

Abstract Ten benzimidazole chalcone derivatives were synthesized, and their monoamine oxidase (MAO) inhibitory activity was evaluated. Most compounds showed higher inhibitory activity against MAO-B than MAO-A. Compound BCH2 exhibited an IC50 value of 0.80 μM, thereby showing the most potent inhibition amongst all. In addition, BCH2 showed the highest MAO-B selectivity index (SI) with an SI value of 44.11 compared to MAO-A. Among the substituents, the halogen group showed the best MAO-B inhibition, and the ortho-position of the B ring showed better inhibitory activity than the para-site. In comparison with ortho-substituents, the inhibitory activity increased in the order, -Cl > -Br > -F > -H. BCH2 was found to be a competitive inhibitor of the enzyme with optimum inhibition kinetics, where Ki was found to be 0.25 ± 0.014 μM. In the reversibility experiment, BCH2 showed a recovery pattern after MAO-B inhibition, similar to that of lazabemide. Thus, BCH2 is a potent, reversible, and selective MAO-B inhibitor and has been suggested as a candidate for the treatment of neurological disorders.

Abstract A prompt and modular copper(I)-catalyzed azide–alkyne cycloaddition ʼclickʼ approach has been exploited for the synthesis of galactose- and mannose-coated calixarene-cored G1 generation glycodendrimers. The developed calixarene glycodendrimers were characterized by using spectral techniques (1H NMR, 13C NMR and IR). In photophysical evaluation, UV and fluorescence spectra of the developed compounds were recorded in CH3CN/H2O.

Anionic carboxylated cellulose nanofibers (CNF) are effective media to remove cationic contaminants from water. In this study, sustainable cationic CNF-based adsorbents capable of removing anionic contaminants were demonstrated using a simple approach. Specifically, the zero-waste nitro-oxidization process was used to produce carboxylated CNF (NOCNF), which was subsequently converted into a cationic scaffold by crosslinking with aluminum ions. The system, termed Al-CNF, is found to be effective for the removal of fluoride ions from water. Using the Langmuir isotherm model, the fluoride adsorption study indicates that Al-CNF has a maximum adsorption capacity of 43.3 mg/g, which is significantly higher than that of alumina-based adsorbents such as activated alumina (16.3 mg/g). The selectivity of fluoride adsorption in the presence of other anionic species (nitrate or sulfate) by Al-CNF at different pH values was also evaluated. The results indicate that Al-CNF can maintain a relatively high selectivity towards the adsorption of fluoride. Finally, the sequential applicability of using spent Al-CNF after the fluoride adsorption to further remove cationic contaminant such as Basic Red 2 dye was demonstrated. The low cost and relatively high adsorption capacity of Al-CNF make it suitable for practical applications in fluoride removal from water.