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An exploratory study on the prevalence of dysphagia and malnutrition risk among older residents in care homes
No full textDysphagia, a prevalent condition among older adults, poses significant challenges to safe food consumption and nutritional adequacy, increasing the risk of malnutrition and aspiration. This study aimed to assess dysphagia severity, nutritional status, swallowing quality of life, and food consumption patterns in geriatric dysphagia patient in care homes. A cross-sectional study was conducted with 53 individuals aged 60-90 years across 12 care homes in Tamil Nadu, India. Dysphagia severity was assessed using Eating Assessment Tool (EAT-10). Nutritional status was assessed using the Mini Nutritional Assessment (MNA) tool. The Swallowing Quality of Life Questionnaire (SWAL-QOL) was used to assess quality of life related to deglutition. Dietary intake was evaluated using the 24-h dietary recall method with caregiver assistance. Among the 53 participants, high dysphagia risk (71-82%) and malnutrition prevalence (28-36%) were observed. Aspiration risk increased from 18 to 29% with advancing age. SWAL-QOL scores declined with age (p = 0.026). Cereal consumption was 20% higher, while the consumption of pulses (42.9-51%), fruits (12-29%), and vegetables (12.8-14%) was lower than the Recommended Dietary Allowance (RDA). These results highlights the necessity of integrating culturally appropriate texture-modified diets, nutrient-dense formulations, and hydration strategies to mitigate dysphagia-related risks and improve life quality
Unveiling the structural and theoretical properties of 6-(2-fluoro-3-methylpyridin-4-yl)-2-(4-methoxyphenyl)-N-phenylquinoline-4-carboxamide compound as Sonic Hedgehog protein inhibitor: Synthesis, SCXRD, HSA, DFT, Docking and ADMET studies
No full textThe Hedgehog (Hh) pathway, when constitutively activated, can lead to tumour development in basal cell
carcinomas and medulloblastomas. One of the effective ways for limiting tumour growth and preventing illness
recurrence following surgery, radiation treatment, or chemotherapy is the inhibition of the Hedgehog signalling
pathway. Inhibitors of the hedgehog pathway are therefore a significant class of anti-cancer medications. Owing
to this, the present study aimed to synthesis the 6-(2-fluoro-3-methylpyridin-4-yl)-2-(4-methoxyphenyl)-N-phe-
nylquinoline-4-carboxamide (QCA)- compound using Suzuki coupling reaction method, later the compound was
confirmed using various spectroscopic characterization like LCMS, 1H NMR, 13C NMR and FTIR spectroscopy. In
addition, the obtained crystal was subjected to the single crystal X-ray diffraction method, which shows the
molecule crystallizes in the triclinic crystal system of P1 space group. Further, the molecular structure of QCA
compound forms inter and intramolecular hydrogen bond interactions, which are results in the formation of S(6)
self-motif, R2
1(7) graph-set ring motif, C-H⋅⋅⋅π weak hydrogen bond interactions respectively. These interactions
in the crystal network were further corroborated using Hirshfeld surface and 2D fingerprint plot analysis, and
later through Bader’s quantum theory of atoms in molecules (QTAIM). For the interpretation of results,
computational methods currently make a strong supplement to experimental data. Hence, the DFT approach was
used to optimize the geometry of the compound to its ground state. The computed energies demonstrated the
stability and reactivity of the QCA compound for the lowest unoccupied molecular orbital (LUMO) and the
highest occupied molecular orbital (HOMO). Using the same theoretical framework, a representation of the
molecular electrostatic potential (MEP) was drawn to show the molecule’s charge distribution and chemical
reactivity. Several physicochemical properties of the QCA molecule are examined and found that QCA compound
has an optimal range of physicochemical and ADMET properties hence indicating adherence to Lipinski’s rule of
five for favorable safety profiles with favourable pharmacokinetics. The molecular docking simulation of the
synthesized QCA molecule with Sonic Hedgehog protein and was carried out using MGL tools 1.5.6 with
AutoDock Vina. The docking studies revealed that the molecule might possess potential anticancer activity
against Sonic Hedgehog protein, which is compared to the standard drug Glasdegib
Green synthesis of zinc oxide nanoparticles using aqueous extract of Pavonia zeylanica to mediate photocatalytic degradation of methylene blue: studies on reaction kinetics, reusability and mineralization
Get PDFNanoparticles (especially zinc and titanium oxide) have been found to be effective in photodegrading pollutants (organic/inorganic) from industrial wastewater. Presently, this study aimed at biosynthesizing zinc oxide nanoparticles (ZnO-NPs) from the leaf extract of Pavonia zeylanica, a plant with significant medical value, and evaluating their photocatalytic properties against methylene blue (MB), an azo dye (100 mg L-1, pH 7), using solar irradiation, along with the measurement of their reusability and mineralization efficiency. The characterization of the Pz-ZnO-NPs showed an absorbance peak at 313 nm, with a bandgap value of 3.04 eV and a size of 19.58 nm. This study's results show that the synthesized Pz-ZnO-NPs, upon treatment with MB dye after 2 h of solar irradiation, showed an 89.32% degradation, which was concentration-dependent and followed pseudo-first-order kinetics. The reusability studies indicated that the Pz-ZnO-NPs were able to degrade MB dye after five repeated cycles of its usage. The structural composition of the Pz-ZnO-NPs evaluated by XRD showed that the peak position stayed constant. Nevertheless, the peak intensity dropped, indicating that the ZnO-NPs' crystal structure was unaffected. Furthermore, advanced oxidation process studies, which included an evaluation of COD and TOC, revealed that both the contents decreased significantly during the photocatalysis process, wherein the electron-rich organic dyes were converted to nontoxic products through mineralization
Enhancing Al-Air Battery Performance with Beta-d-Glucose and Adonite Additives: a Combined Electrochemical and Theoretical Study
No full textAl-air batteries are distinguished by their high theoretical energy density, yet their broader application is hindered by hydrogen evolution corrosion. This research focuses Beta (+) d-glucose (S1) and Adonite (S2) as potential corrosion inhibitors for the Al-5052 alloy within a 4 M NaOH solution. Utilizing electrochemical techniques, hydrogen evolution assessments, and surface analyses, our findings indicate enhancements in anode utilization by 21.9% for S1 and 21.1% for S2. Inhibition efficiency reached 65.5% for S1 and 65.1% for both additives at a concentration of 10-3 M. Additionally, the introduction of S1 and S2 markedly increased the nominal specific capacity (654 mA h g-1 for S1 and 629 mA h g-1 for S2) and energy density (1922 W h kg-1 for S1 and 1849 W h kg-1 for S2) of the batteries. These results suggest that managing the electrolyte composition with these additives can significantly enhance battery performance in alkaline environments. Supporting our experimental findings, density functional theory (DFT) and molecular dynamics (MD) analyses confirmed improved anode passivation and beneficial molecular interactions, contributing to the reduction of corrosion in the Al-5052 alloy
Synergistic innovation: MOF@GCN hybrid for electrochemical detection of flutamide—bridging experimental, computational, and real-world applications
No full textElectrochemical sensors are at the forefront of analytical technology, offering remarkable sensitivity and rapid response for detecting a wide range of chemical and biological compounds. Herein, a bimetallic metal-organic framework (MOF) is engineered and combined with graphitic carbon nitride (GCN) to demonstrate exceptional electrochemical performance toward the anti-cancer drug flutamide. A simple solvothermal method is used to synthesize MOF and GCN. These materials are then used as precursors to synthesize the MOF@GCN nanocomposite via a sonication method. The formation of the nanocomposite is confirmed using various characterization techniques like UV-Vis spectroscopy, FTIR spectroscopy, XRD, XPS, TGA, SEM, and TEM. The electrochemical characterization is performed using EIS, and the electrochemical measurements are conducted using CV and LSV. The results obtained from the electrochemical parameters indicate good operational stability, high sensitivity, reliability, and excellent electrochemical conductivity. The LSV curves show linearity over a wide range of flutamide concentration levels (10 to 180 nM), a limit of detection of 17.56 nM, a limit of quantification of 53.23 nM, and an optimal sensitivity of 22.89 mu A mu M-1 cm-2. This electrical response of the sensor is attributed to the abundance of active sites, accelerated diffusion, and low rate of recombination. The real sample analysis conducted in biofluids and environmental samples also demonstrate good recovery for the flutamide analyte. The theoretical results obtained from the computational DFT analysis on the analyte are also in good agreement with the experimental results. In a wider perspective, the development of this electrochemical sensor promises significant advancements in health monitoring and environmental protection
Quorum quenching strategies of endophytic Bacillus thuringiensis KMCL07 against soft rot pathogen Pectobacterium carotovorum subsp. c arotovorum
No full textPhytopathogens are global threats to agriculture, causing substantial economic losses and decreased crop pro-
ductivity. Developing a control strategy without emerging resistance or creating environmental and health
hazards is necessary. The majority of potential pathogens of crops are gram-negative and they communicate
through Acyl homoserine lactones (AHLs)-mediated quorum sensing (QS) systems to establish their pathoge-
nicity. By synthesizing small signal molecules, they collectively respond, regulate the expression of virulence
factors, biofilm development, secondary metabolite production, and interactions with the host and other mi-
crobes in a population-density-dependent manner. Targeting QS mechanisms has been put forward as an
attractive approach for conventional infection control.
The quorum quenching endophytic Bacillus thuringiensis strain KMCL07 cell free lysate (CFL) was used to
attenuate the virulence of the soft-rot Pectobacterium carotovorum subsp. carotovorum (Pcc) by targeting its QS
system. The CFL inhibition ability of Pcc on the AHL signal molecules were tested using a biosensor strain
(Chromobacterium subtsugae), which showed a significant (p < 0.001) reduction in the production of AHL sig-
nalling molecules without inhibiting Pcc growth. Pcc pathogenicity is related to the expression of various
virulence traits like the secretion of extracellular enzymes, motility, and biofilm. The test results showed a
significant degree (p < 0.0001) of inhibition in the production of virulence-causing extracellular enzymes (Pel,
Cel, and Prt) when Pcc was treated with CFL. Soft rot in-vitro assays revealed that CFL, irrespective of different
families, showed a significant level (p ≤ 0.0001) of reduction in disease severity and effectively reduced tissue
maceration under different temperature ranges (25◦, 30◦, and 40 ◦C). LC-MS analysis confirmed the hydrolytic
degradation of QS signalling molecules (3-oxo-C6-HSL and 3-oxo-C8-HSL) by CFL indicating the presence of
lactonase enzyme activity. These results suggest that CFL can degrade a wide range of AHL molecules, and
control soft rot in a wide variety of hosts and temperatures without affecting the host. Applying cell free lysates
(CFLs) from endophytic bacteria to control soft rot pathogens can be an environmentally friendly way to improve
plant health. CFLs protect plants by preventing the establishment of pathogenic organisms
Fluorescent CsPbBr3@Cs4PbBr6/PU polymer nanocomposite-based triboelectric nanogenerator for self-powered UV sensing
No full textRedefining energy harvesting, triboelectric nanogenerators (TENGs) are emerging as revolutionary solutions for energy harvesting. Considering the triboelectric features and photoresponse of CsPbBr3@Cs4PbBr6, a new class of triboelectric energy harvesters and self-powered UV sensors have also been fabricated. Here an antisolvent reprecipitation technique is used to create CsPbBr3@Cs4PbBr6 (Mixed Dimensional Perovskite- MDP), which is testified by Field Emission Scanning Electron Microscope (FESEM) and X-ray Diffractogram. As prepared perovskite is successfully incorporated into the castor oil-based polyurethane to fabricate polymer nano- composite through solution casting method by varying the concentration of the nanofiller (0.00, 0.50, 1.00, 2.00 and 4.00 wt/wt%). Scanning Electron Microscopy (SEM) and X-ray diffraction (XRD) results suggest the successful integration of MDP/PU polymer nanocomposite. There is steady increase in glass transition temperature (Tg), which provides balance between enhanced thermal stability and flexibility. Also, the contact angle and Atomic Force Microscope (AFM) results show a gradual increase in water contact angle and surface roughness which has implications on TENG's performance. The electrical characterization shows that MDP/PU-TENG generated voltage/current of 382.02 V/68.86 mu A. The optimised MDP/PU-TENG could light up 33 commercial LEDs and can charge capacitors of different capacitances. Furthermore, the polymer nanocomposite exhibits photosensitivity towards UV radiation, showing that it can function as a photodetector. This work aims and elaborates on a novel category of self-sustaining photoactive triboelectric energy harvesters that have been developed taking, into account both photoresponse and triboelectric characteristics
Development of expanded graphite composite-based triboelectric nanogenerator for sustainable energy generation
No full textTriboelectric Nanogenerators (TENG), transformational devices that harness mechanical energy to generate electricity, are pivotal for driving the advancement of autonomous technologies in today's mobile-centric world. In this study, a TENG is developed, using a novel composite film of Polyvinyl Alcohol-Expanded Graphite (PVA-EGr) as the positive triboelectric layer, Polyurethane (PU) as the negative triboelectric layer, and aluminum (Al) foil tape as electrodes. Various characterizations are performed to study the properties of the composite film and compared to pristine PVA film, including crystallographic structure, surface morphology, elemental composition, chemical bonding, and analysis of functional groups present in both films. Further, the electrical performance of the fabricated devices shows that the TENG with 0.4 g of EGr achieves the highest output voltage, current, and power of 264.68 V, 6.87 mu A, and 2.88 mW, respectively. This optimized device demonstrates its capability by charging different capacitors and powering a series of green LEDs, highlighting its suitability for practical applications in electronic devices
The study of the role of non-covalent interactions (C-H⋯N, CH⋯π,C-O⋯C-O, and π⋯π) towards crystal packing of benzyl 4-(4-flurophenyl)thiazole-2-carboxylate: A combined experimental and computational approach
No full textThis research article provides a extensive investigation into the synthesis, structural analysis, and other physi-
cochemical properties of a novel thiazole derivative benzyl 4-(4-flurophenyl)thiazole-2-carboxylate (w37) syn-
thesized using condensation reaction. Single crystal X-ray diffraction study unravels that the compound w37
crystallized in the orthorhombic crystal system with the space group P212121 space group, showcasing a non-
planarity of the structure. The crystal packing is stabilized by a network of intermolecular interactions,
including hydrogen bonds, C–H⋯π, and π-stacking. The remarkable combination of antiparallel CO⋯CO in-
teractions observed in the solid state structure. The Hirshfeld surface analysis has been carried out for visual-
izing, exploring and quantifying the intermolecular interactions that stabilize the crystal packing of the
compound w37. The HOMO-LUMO energy gap and global reactivity descriptor values of compound w37 were
determined using density functional theory calculations to assess the degree of harmony between theoretical and
experimental values. Molecular Electrostatic Potential (MEP) surfaces were performed to get additional insights
into charge distribution, intermolecular interactions, and stabilization energies. Based on the Bader’s theory,
reduced density gradient (RDG) analysis and the density overlap regions indicator (DORI) analysis is also
exploited to visualize and quantify the concept of electronic compactness in supramolecular chemistry, and to
investigate the nature and strength of the van der Waal interactions. In addition, screened for drug likeness
character of the molecule through online servers pkCSM and SwissADME, which suggest that the physico-
chemical and ADMET parameters are within an ideal range, the synthesized w37 molecule exhibits good
pharmacokinetics. Further, The docking studies revealed that the molecule might possess potential against SARS-
CoV-2 protein
Phytoconstituents from ( Piper nigrum L.) Black pepper essential oil (BPEO) acts as anti-virulent to fight quorum sensing, an analysis through in-vitro and in-silico studies
No full textSessile biofilms make microorganisms drug-resistant, which is an escalating challenge to human health. Essential oils (EOs) derived from plants and spices like Piper nigrum L. (Black Pepper) have potent anti-virulent properties. This study investigates the leading quorum-quenching (QQ) phytoconstituents in Black Pepper EO (BPEO) and their specific anti-virulent actions against Chromobacterium violaceum 12472 and Pseudomonas aeruginosa PAO1. BPEO exhibited predominant bactericidal effect at Minimal Inhibitory Concentrations (MIC) of 3 % and 6 % (+1.56 v/v) against each species respectively and inhibited quorum-sensing (QS)-regulatory phenotypic expressions at sublethal concentrations. The visible deformation of a pre-formed P. aeruginosa PAO1 biofilm-matrix after BPEO administration was observed via epifluorescence microscopy. BPEO also inhibited the production of exopolysaccharide (EPS), violacein, and migration of a motile flagellum. Thin Layer Chromatography (TLC); followed by bioautography confirmed the location of bio-active phytoconstituents at Rf 0.8, and further analyzed through Gas Chromatography/Mass Spectroscopy (GC/MS) to identify all phytoconstituents in BPEO. Virtual screening-based in-silico molecular docking revealed two leading ligands and the active pockets for these ligands in QS regulation proteins LasR and CviR that had binding energies of -8.3 and -8.6 Kcal/mol respectively. 100 nanoseconds of molecular dynamics (MD) simulation also revealed that alpha-cubebene had stronger binding stability with LasR and CviR proteins than beta-caryophyllene. Overall, this study has assessed BPEO as a potential reservoir of effective QQ molecules that inhibit biofilm-formation through QS regulation and characterized the specific biochemical interactions that define BPEO as a sustainable anti-virulent against certain drug-resistant pathogenic bacteria