Study of the Crystal Architecture, Optoelectronic Characteristics, and Nonlinear Optical Properties of 4-Amino Antipyrine Schiff Bases.

Two Schiff bases, ()-4-((2-chlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3-pyrazol-3-one (4AAPOCB) and ()-4-((4-chlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3-pyrazol-3-one (4AAPPCB), have been synthesized and grown as single crystals. Single-crystal X-ray diffraction analysis was employed to determine the crystal structure of the compounds, and the results suggest that the compounds crystallized into an orthorhombic crystal system having 222 and space groups, respectively. Further, the crystallinity of the compounds was analyzed by the PXRD technique.

Investigation of structural, morphological, optical, elemental, and anticancer property of pure ZnO and PbO: ZnO nanocomposites prepared by flame synthesis method.

In this work, Pure ZnO nanoparticles and a nanocomposite of PbO: ZnO were prepared by the flame synthesis method, and was analyzed for structural, morphological, optical, elemental, and biocompatibility studies. The structural analysis revealed a hexagonal structure for ZnO and an Orthorhombic structure for PbO: ZnO nanocomposite. Scanning electron microscopy (SEM) image showed a Nano-Sponge-like surface morphology for PbO: ZnO nanocomposite and energy dispersive spectra (EDS) confirmed the absence of undesired impurities.

Synthesis and DFT computations on structural, electronic and vibrational spectra, RDG analysis and molecular docking of novel Anti COVID-19 molecule 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate.

Prospective Anti-viral compound 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate (DPDS) was synthesized and characterized using FT-IR, FT-Raman, UV and NMR spectra. To escort the experimental results, computational methods were performed using B3LYP with 6-311G (d, p) basis set expending Gaussian09w package to attain geometry of the molecule. Vibrational assignments for all the vibrational modes have been made of PED results obtained from SQM method.

New perception about the use of nanofungicides in sustainable agriculture practices.

Protecting plants from pathogens using synthetic nanofungicides is not very effective, because it is harmful to the environment. However, it is synthetic fungicides that farmers are familiar with and commonly use. In this modern era, nanotechnology offers a smart solution to environmental issues at the nanoscale level.

Optimization of bacteriocin production by Lactobacillus plantarum using Response Surface Methodology.

Bacteriocin production is influenced by various factors such as carbon and nitrogen sources as well as fermentation conditions including pH, temperature, and agitation-these factors aid in optimizing bacteriocin production and improving its inhibitory activity against pathogens for great economic significance. The study investigates the effect of growth conditions on bacteriocin production by Lactobacillus plantarum. The response surface methodology was applied to optimize and determine the interaction among the process variables in bacteriocin production by Lactobacillus plantarum and determine their optimum levels.

Forced convection of non-darcy flow of ethylene glycol conveying copper(II) oxide and titanium dioxide nanoparticles subject to lorentz force on wedges: Non-newtonian casson model.

The topic of two-dimensional steady laminar MHD boundary layer flow across a wedge with non-Newtonian hybrid nanoliquid (CuO-TiO/CHO) with viscous dissipation and radiation is taken into consideration. The controlling partial differential equations have been converted to non-linear higher-order ordinary differential equations using the appropriate similarity transformations. It is demonstrated that a number of thermo-physical characteristics govern the transmuted model.

Influence of elemental composition on structural, thermal and hydration behavior of gold-silver bimetallic nanoparticles.

In this study, molecular dynamics simulations (MDs) have been employed to explore the influence of elemental composition on the structural, thermal, and hydration behavior of the core-shell gold-silver bimetallic nanoparticles with three different concentrations AuAg, AuAg, and AuAg. The pure gold and silver metal nanoparticles have also been studied for the sake of comparison. The calculated cohesive and formation energy values reveal the enhancement in the stability of gold-silver bimetallic nanoparticles with the increase in the concentration of gold.

Design of Resources Allocation in 6G Cybertwin Technology Using the Fuzzy Neuro Model in Healthcare Systems.

In 6G edge communication networks, the machine learning models play a major role in enabling intelligent decision-making in case of optimal resource allocation in case of the healthcare system. However, it causes a bottleneck, in the form of sophisticated memory calculations, between the hidden layers and the cost of communication between the edge devices/edge nodes and the cloud centres, while transmitting the data from the healthcare management system to the cloud centre via edge nodes. In order to reduce these hurdles, it is important to share workloads to further eliminate the problems related to complicated memory calculations and transmission costs.

Excitation-independent and fluorescence-reversible N-GQD for picomolar detection of inhibitory neurotransmitter in milk samples ‒ an alleyway for possible neuromorphic computing application.

N‒GQDs with an average size of ca. 20-30 nm are utilized for the picomolar detection of inhibitory neurotransmitters, glycine (Gly), in pH ca. 7.

Curcumin analogues with improved antioxidant properties: A theoretical exploration.

Curcumin, a ubiquitous dietary molecule, is a versatile antioxidant that fights against free radicals. The antioxidant activity of curcumin and its structural analogues such as hispolon, halfcurcumin and polyhydroxycurcumin is analyzed using density functional theory (DFT). The thermochemical parameter, bond dissociation enthalpy (BDE) is used to analyse the propensity of radical attack.

Screening of Natural Phytocompounds Towards Identification of Potential Lead Compounds to Treat COVID-19.

COVID-19 is one of the members of the coronavirus family that can easily assail humans. As of now, 10 million people are infected and above two million people have died from COVID-19 globally. Over the past year, several researchers have made essential advances in discovering potential drugs.

Hierarchal Bayes model with AlexNet for characterization of M-FISH chromosome images.

The analysis of chromosomes is a significant and challenging task for clinical diagnosis and biological research. The technique based on color imaging is a multiplex fluorescent in situ hybridization (M-FISH), which was implemented to ease the exploration of the chromosomes. Thus, in this paper, we propose a novel quasi-Newton-based K-means clustering for the M-FISH image segmentation.

Influence of freeze-drying and fresh cooking on starch morphology and physicochemical and thermal properties of various tropical tubers.

Flours and starches extracted from the tropical tubers underwent freeze-drying and cooking in comparison with fresh cooking. Freeze-dried and cooked starch (FDS) granules were found to have different shapes and collapsed arrangement whereas freshly cooked starch (FCS) granules had the least varied structures. The freeze-dried flours had larger structures compared to freshly cooked flours.

Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID-19 Molecule 4-Dimethylamino Pyridinium 3, 5-Dichlorosalicylate.

In this work novel antiviral compound 4-(Dimethylamino) Pyridinium 3, 5-dichlorosalicylate was synthesized and characterized by UV-vis, FT-IR, FT-Raman, H NMR and C NMR spectra. Quantum chemical computations were carried out by Density functional theory methods at B3LYP level. Electronic stability of the compound arising from hyper conjugative interactions and charge delocalization is investigated using natural bond orbital analysis.

Safety assessment of ethanolic root extract of Zaleya decandra (EEZD) in Wistar rats.

Zaleya decandra is a prostrate, glabrous, succulent herb of the family Aizoaceae. In recent years the pharmacological efficacy of the plant such as the hepatoprotective, antimicrobial, antidiabetic, anti-inflammatory and anticancer activities has been reported. However, a long-term toxicity study of Z.

Photosensitive activity of fabricated core-shell composite nanostructured p-CuO@CuS/n-Si diode for photodetection applications.

Development of photo detectors based on different semiconducting materials with high performance has been in progress in recent past, however, there is a lot of difficulties in developing the more effective photo detectors-based devices with high responsivity, detectivity and quantum efficiency. Hence, we have synthesized pure CuS and CuO@CuS core-shell heterostructure based photo detectors with high performance by simple and cost-effective two-step chemical co-precipitation method. The phase purity of CuS and CuO@CuS composite was observed by XRD analysis and the result were verified with Raman spectroscopy studies.

High temperature stable conjugated polyazomethines containing naphthalene moiety: Synthesis, characterization, optical, electrical and thermal properties.

A series of azomethine diol monomers containing naphthalene moiety were synthesized and oxidatively polymerized in aqueous alkaline medium using NaOCl as oxidant. The structure of the monomers and polymers was characterized by using various spectroscopic techniques. PL spectra of polymers are exhibiting good emission with high Stokes shift values than the monomers due to their polyconjugated structure.

N-substitution in isatin thiosemicarbazones decides nuclearity of Cu(II) complexes - Spectroscopic, molecular docking and cytotoxic studies.

The mono- (1) and bi-nuclear (2) copper(II) complexes containing N-substituted isatin thiosemicarbazone(s) were synthesized, and characterized by analytical and spectroscopic (UV-Visible, FT-IR and EPR) techniques. Bimetallic nature of complex 2 was confirmed by single crystal X-ray crystallography. The structures predicted by spectroscopic and crystallographic methods were validated by computational studies.

La/Sr Dual-Substituted Hydroxyapatite Nanoparticles as Bone Substitutes: Synthesis, Characterization, Bioactivity and Cytocompatibility.

The present study aims to synthesize biocompatible and bioactive lanthanum (La)/strontium (Sr) dual ion doped hydroxyapatite (HA) nanomaterials by sol-gel method. The discrete substitution of La and Sr in pure HA enhances the osteoconductivity. The co-substitution of various La concentrations (0.

Synthesis, Characterization and Biological Activity of Novel Cu(II) Complexes of 6-Methyl-2-Oxo-1,2-Dihydroquinoline-3-Carbaldehyde-4n-Substituted Thiosemicarbazones.

Three new 6-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde-thiosemicarbazones-N-4-substituted pro-ligands and their Cu(II) complexes (, -NH; , -NHMe; , -NHEt) have been prepared and characterized. In both the X-ray structures of and , two crystallographically independent complex molecules were found that differ either in the nature of weakly metal-binding species (water in and nitrate in ) or in the co-ligand (water in and methanol in ). Electron Paramagnetic Resonance (EPR) measurements carried out on complexes and confirmed the presence of such different species in the solution.

The rapid response and high sensitivity of a ruthenium-doped copper ferrite thin film (Ru-CuFeO) sensor.

A sensor displaying a rapid response and high sensitivity was developed by following a simple route. Ionic defects in this sensor were explored using X-ray diffraction analysis. In general, such defects arise from a mismatch of ionic radii, which actually improves the sensing performance.

Bidentate Schiff Base Ligands Appended Metal(II) Complexes as Probes of DNA and Plasma Protein: In Silico Molecular Modelling Studies.

HL1 and HL2 (HL1 = 5-diethylamino-2-({[4-(diethylamino)phenyl]imino}methyl)-phenol; HL2 = 5-diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)-phenol) are new Schiff base ligands which were prepared along with their metal(II) complexes of [Cu(L1)] (1), [Cu(L1)] (2), [Ni(L2)] (3) and [Ni(L2)] (4) and characterized by different analytical as well as spectroscopic analyses. The single crystal XRD analysis confirms the proposed structure of ligands such as HL1 and HL2. EPR spectral analysis gives evidence about the tetrahedrally coordinated geometry of complexes 1 and 2.

A reliable chemiresistive sensor of nickel-doped tin oxide (Ni-SnO) for sensing carbon dioxide gas and humidity.

Herein, we report the chemiresistive gas and humidity sensing properties of pristine and nickel-doped tin oxide (Ni-SnO) gas sensors prepared by a microwave-assisted wet chemical method. The structural and optical properties are characterised using X-ray diffraction, scanning electron microscopy, scanning transmission electron microscopy, ultraviolet spectroscopy, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy. The structural elucidation and morphology analyses confirm a particle size of 32-46 nm, tetragonal rutile crystal structure and small cauliflower-type surface appearance.