In the present study, various properties of 3,5-(4-hydroxyphenyl)-2,4,6-trimethyl cyclohexanone molecule was obtained by computational analysis of organic molecule under investigation by employing theoretical DFT and HF using 6-311G and 6-311 ++ G base sets. According to the estimated HOMO and LUMO energies, it is confirmed that there is charge transfer in the selected molecule, and the energy gap characterizes the reactivity chemical and chemical hardness of the molecule. MEP and first order hyperpolarizability were reported and analyzed. From the calculated first order hyperpolarizability values and the related parameters it is observed that the title molecule has pronounced NLO property.
The engineering of biomass into functional nanomaterial is captivating. Originating muse from the environment into functional materials is enthralling. Nature is a treasure of exciting precursors that motivates constant persuasion of good synthetic routes. The handling of particular natural configuration of biomass might lead to functional material through fascinating properties; one such instance is green carbon dots (CDs). The last one decade devours beheld the advent of CDs, surpassing further members of carbon family owing to its astonishing giveaways like fluorescence, cytocompatibility, photostability, electronic, mechanical, and other chemical properties, which led to an amassed sum of solicitations in bioimaging, sensing, photovoltaic, and medicine. Scholars are aiming at carbon‐based quantum dots that need recently begun as a novel family of zero‐dimensional nanostructured constituents. They are spherical with a size below 10 nm and display excitation‐wavelength‐dependent photoluminescence (PL). Carbon quantum dots (CQDs) have exclusive optical, PL, and electrochemical properties. They are environment‐friendly with low toxicity as paralleled to toxic heavy metal quantum dots. Frequently, CQDs are consequent from chemical precursor constituents. Still, recently scholars have engrossed their consideration on the production of CQDs from waste biomass materials owing to the economic and environmental constraint. Herein this chapter, we endeavor the expedition of CDs employing the green sources of synthesis and their applications, through the foremost emphasis on fluorescent sensors.
The purpose of this study was to select calcium sulphide as a host for the synthesis of phosphor, which would be an excellent luminous material for biomedical purposes. An easy sol–gel method was used to synthesize calcium sulphide that has been activated by thulium. Using PXRD, the structural analysis was performed, the structure was found to be monoclinic and the structural parameters were calculated using PXRD data. AFM was used to investigate the surface morphology, and Gwyddion software was utilized to determine the grain size. From UV-DRS and photoluminescence spectroscopy, optical characteristics were examined. The Tauc plot was drawn by using UV spectroscopy data to determine the optical band gap, which was calculated to lie between 3.8 and 4.2 eV. The PL peaks were discovered in the visible spectrum at wavelengths of around 640 nm. The optical parameters were calculated from colour calculator software, and the chromaticity diagram was drawn using CIE software. The TCSPCS was used to compute the lifetime of the excited state, and a haemocompatibility test was performed to ensure that it was biocompatible.
Zinc oxide nanoparticles (ZnO NPs) have been prepared using a natural tea-assisted auto-combustion method. Prepared ZnO NPs were heated at 350°C and their structural, vibrational, optical, and morphological properties were investigated. The role of natural tea and heat treatment on the physicochemical properties of ZnO NPs was analyzed. The structure, lattice constant, and crystallite size of ZnO NPs were investigated through X-ray diffraction analysis (XRD). The crystallite size as-synthesized and heat-treated samples are found to be 5.8 and 9.4 nm. The functional groups and vibrational modes of prepared and heat-treated ZnO NPs were analyzed by FT-IR spectroscopy. The energy band gap of as-synthesized is 3.13 eV while it is 3.08 eV for the heat-treated ZnO NPs. The nanoscale range of the particles is confirmed by TEM micrographs of heat treated ZnO NPs, which agree well with the crystallite size determined by XRD. The particle colloidal stability of heat treated ZnO NPs is good. The sensing ability of ZnO NPs was experienced with various sensor measurements, and the ZnO NPs showed good sensor response to different gases. ZnO NPs show outstanding sensor response to ethanol gas compared to the other test gases.
In the present study, different concentrations of Europium-doped calcium sulfide nanocrystals were synthesized by the simple sol–gel method. Structural properties were analyzed by powder X-ray diffraction studies. Surface morphology was analyzed by atomic force microscopy. The optical band gap was calculated from a Tauc plot drawn from diffuse reflection spectroscopy data. Optical properties were analyzed from photoluminescence spectroscopy, and the peaks were obtained in the visible region with a wavelength in the order of ~ 640 nm. The average lifetime was calculated from the time-resolved fluorescence spectroscopy. The hemocompatibility test results revealed the biocompatible nature of the samples.
Arsenic pollution in water is a recurring problem for countries where groundwater is the only source of survival. Adsorption is considered as a promising treatment method to abate arsenic pollution in water due to its numerous admirable advantages. In this paper, a facile functionalization of N- and S-rich nano-zirconia (ZrO2) is presented in-conjunction with in situ precipitation using L-cysteine (Cys), a non-essential amino acid, and prepared with a semi-carbonized (500 °C) chitosan biopolymer, ChiC, (ZrO2[email protected]) by a hydrothermally assisted method. The interaction of Cys on ZrO2 and ChiC moieties in ZrO2[email protected] was investigated for the adsorption of toxic arsenite (AsO3³⁻) from water by batch and column adsorption method. The structure of the prepared materials before and after adsorption of arsenite was characterized by a series of techniques such as powder XRD, XPS, BET, SEM, EDAX, mapping, CHN analysis. The adsorption of arsenite on the prepared ZrO2[email protected] hybrid adsorbent was best described by the Langmuir adsorption isotherm and the pseudo-second-order kinetic model. Apart from the isostructural and isoelectronic nature of the phosphate ions in the selectivity assay, arsenite adsorption is not hindered at basic pH conditions. After adsorption, the stability of the material was maintained without any change in the surfaces and crystalline nature, as shown by XPS, SEM, and powdered XRD. The reusability and column test results confirmed the potential use of the ZrO2[email protected] adsorbent for the effective removal of arsenite from water. Combining the high removal density and selectivity with fast kinetics, the prepared ZrO2[email protected] hybrid adsorbent has great potential for the removal of arsenite from aqueous solutions.
In the era of nanotheranostics, magnetic nanoparticles (MNPs) attracted the attention of scientific communities as they can be functionalized and controlled under the influence of a remote magnetic field. This distinct feature of MNPs has been exploited for delivering drugs and genes to the specific target site, tracking cells, biosensing, bio-separation, magnetic resonance imaging, hyperthermia therapy, and tissue engineering. Recent studies documented the applicability of MNPs incorporated with bioactive agents to provide organ-specific diagnosis and treatment. MRI based on MNPs has been widely used for synchronizing tumor removal, tissue-specific gene delivery, and cell replacement therapy. Moreover, a considerable advancement was noticed in the synthesis of MNPs with desired morphology, surface chemistry, and physicochemical characteristics as they influence the toxigenic nature and biodistribution of MNPs. Research works focusing on the surface chemistry of MNPs have also been increased as coating of MNPs can increase their stability and affinity to the target site and overcome the limitations in the immunogenicity and biocompatibility of the applied MNPs. This chapter aims to address the recent developments in designing and synthesis of MNPs, their surface functionalization, characterization, surface coating strategies, and their utility in disease diagnosis and treatment.
The present study reports development of an improved in vitro regeneration protocol of Strychnos potatorum L. f. a wild threatened medicinal tree species. The higher rate of morphogenetic plant regeneration was observed in seedlings derived young nodal bud explants when compared to shoot tips explants. Nodal explants cultured on MS medium supplemented with 1.0 mg/L–1 6-benzylaminopurine (BAP) in combination with 0.5 mg/L–1 naphthalene acetic acid (NAA) induced a maximum number of shoots of (10.5 ± 0.53) with a mean shoot height of (5.2 ± 0.36 cm) was obtained. BAP was found more significant in multiple shoot induction when compared to other cytokinins used in this study. In vitro rooting was achieved on half-strength MS medium augmented with different concentrations of auxins. NAA at 0.5 mg/L–1 produced the highest number of healthy roots (8.6 ± 0.70). The rooted plantlets were successfully hardened in the paper cups containing farmyard manure and garden soil in 1:1 ratio and successfully transferred to field conditions. About 80% of the plants survived in the natural habitat. The field-grown plants showed similarity in its growth characteristics to their mother plant. An assessment of clonal fidelity of regenerated plants was undertaken using inter simple sequence repeat (ISSR) markers which revealed that they are monomorphic and more comparable to their mother plants. This efficient reproducible protocol can be useful for the production of true-to-type nature and ex situ conservation of this threatened S. potatorum tree species.
The gadolinium vanadate nanostructure decorated functionalized carbon nanofiber (GdVO4/f-CNF) nanocomposite was prepared by the hydrothermal method, which is fabricated on a glassy carbon electrode (GCE) for the determination of carbamazepine (CBZ). The structural morphology of the hydrothermally synthesized GdVO4/f-CNF material was investigated by several spectroscopy methods such as FESEM, HRTEM, EDS-mapping, XRD, XPS, and Raman. Moreover, the electrical conductivity of our synthesized material was inspected by the electrochemical impedance spectroscopy (EIS) analysis, and the electrochemical performance towards CBZ was inspected by the cyclic voltammetry (CV) and amperometry (AMP) analysis under optimized conditions. The AMP determination of CBZ exhibits the lowest level LOD of 0.0018 μM and a good linear range of 0.01–157 μM. Additionally, our proposed sensor was used to determine the CBZ in the pharmaceutical and, human urine samples which have exposed the acceptable recoveries.
The syntheses of hitherto unreported epiminocyclohepta[b]pyrazolo[4,3-e]pyridines have been achieved through a microwave-assisted two-component domino strategy. These bicyclic heterocycles exhibited weak fluorescence under UV in 1:1 dioxane:water mixture. From the metal interference studies it has been observed that addition of Al³⁺ selectively induced a four-fold increase in the fluorescence intensity of these compounds through chelation-enhanced fluorescence. The regenerative nature of these probes has been evidenced by the successive addition of EDTA and Al³⁺. Further it has been demonstrated that upon sequential addition of Al³⁺ followed by either Cd²⁺ or Pb²⁺ led to fluorescence “turn on-off” of the epiminocyclohepta[b]pyrazolo[4,3-e]pyridine probes.
In this research, an electrochemical sensor was fabricated employing the metal-organic framework (MOF) deposited glassy carbon electrode (GCE) for the sensing copper ions in water with high sensitivity. The porous nanostructured MOF was characterized through Transmission electron microscope, scanning electron microscope and X-ray diffraction analysis. The Bi-MOF nanostructure deposited GCE (Bi-MOF/GCE) was fabricated by drop-casting a suspension of Bi-MOF in water on GCE surface. The performance of modified electrode in the presence and absence of heavy metal ions such as Cd²⁺, Hg²⁺ As³⁺, Pb²⁺ and Cu²⁺ was determined by the cyclic voltammetry in deionised water within the scan rate range of 25 and 300 mVs⁻¹. The Bi-MOF/GCE displayed highest anodic and cathodic peak current for Cu²⁺ ions than other metal ions, which was enhanced linearly within the scan rate range of 10–100 mV s⁻¹. Under the employed experimental conditions, the fabricated Bi-MOF/GCE based electrochemical sensor showed an outstanding routine in the determination of copper with a lowest sensing limit of 1 × 10⁻⁵ M, wide linear range variation, strong interaction between metal ions and Bi-MOF. It has long-term stability and good reproducibility. The Bi-MOF/GCE electrode was successfully tested to detect Cu²⁺ in tap water with acceptable results.
A novel Schiff base macrocyclic ligand was synthesized by the condensation of 4‐(3,4‐diaminophenyl)benzene‐1,2‐diamine with β‐naphthol‐1‐aldehyde. Binuclear complexes were synthesized from this Schiff base by reaction with Cu (II),Ni (II), Ru (II) and Zn (II) metal salts. Square planar geometrical structures of Cu (II),Ni (II) and Ru (II) complexes were achieved by several physicochemical methods, namely UV‐Vis, FT‐IR, NMR, ESI‐Mass and Thermogravimetric analysis respectively. Density functional theory (DFT) calculations at the B3LYP/6‐31G(d) level were carried out to gain an insight into the thermodynamic stability and biological accessibility of the complexes. Moreover, molecular docking analysis was done against a novel target protein PDB: 6M71 (SARS‐CoV‐2). Both the Schiff base ligand and metal complexes showed excellent interaction with protein receptor. All the metal complexes have the strong tendency to undergo intercalation mode of binding with CT DNA. All the in vivo and in vitro screening studies showed that the complexes exhibit higher activities than the free Schiff base.
This study aimed to investigate the effect of pumpkin (Cucurbita maxima) seed supplementation on the anthropometric measurements, biochemical parameters, and blood pressure (BP) of Indian women with metabolic syndrome (MetS). Initially, in vitro antioxidant activities of pumpkin seeds extract were assessed using standard methods. In vitro alpha-amylase, alpha-glucosidase, and dipeptidyl peptidase IV (DPP-IV) inhibition effects, along with glucose uptake assay using 3T3-L1 cell lines were performed to determine the antidiabetic effects of the seeds extract. Fatty acids and phytoconstituents were identified using gas chromatography-mass spectrometry (GC-MS). Indian women aged 30-50 years, having MetS were assigned either to intervention (n=21) or control (n=21) group on a random basis. Participants in the intervention group received 5 g of pumpkin seeds for 60 days. Participants in both intervention and control were advised to follow certain dietary guidelines throughout the study. Pumpkin seeds extract exhibited not only strong reducing power but also scavenged DPPH and ABTS •+ free radicals with low IC 50 values. Pumpkin seeds inhibited alpha-amylase, alpha-glucosidase, and DPP-IV enzymes at varying concentrations with IC 50 values of 138, 22, and 246 µg/mL, respectively. Furthermore, glucose uptake was enhanced by 213% at 300 ng/mL on the 3T3-L1 cell line. GC-MS analysis showed the presence of propyl piperidine, flavone, oleic acid, and methyl esters of fatty acids in the seed extract. On comparing the changes in mean reduction/ increment in the anthropometric measurements as well as biochemical parameters and BP between the groups, significant difference (P=0.012) was observed only for fasting plasma glucose. Findings of the present study highlight the role of pumpkin seeds as a cost-effective adjunct in treating MetS.
Single-phase, nanocrystalline Zn²⁺ substituted cubic spinel CaFe2O4 with the composition ZnxCa1-x Fe2O4 (x = 0.0, 0.05, 0.1, 0.15) was prepared by solvothermal method. The magnetic properties of the prepared samples were analysed by vibration sample magnetometer (VSM), which reveals a switching from soft ferromagnetic behaviour to super-paramagnetic for an increase in Zn²⁺ doping concentration. The maximum coercivity of 405.54 G and squareness ratio of 35.8% is obtained for pure CaFe2O4, and the doping of nonmagnetic Zn²⁺ ions gradually loses the ferromagnetism. Neel’s two sublattices’ collinear model well explains the overall magnetic property. The surface morphology and elemental composition were analysed using scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) analysis. An optical bandgap analysis was carried out using UV–Visible spectroscopy, revealing a random variation of the optical energy gap with composition. X-ray peak analysis reveals the single-phase cubic spinel structure with Fd-3 m space group. The estimated crystallite sizes range from 22 to 39 nm, and lattice parameter varies in random fashion with the increase of Zn²⁺ doping concentration. Mixed cubic spinel structure is revealed from cation distribution analysis. Rietveld refinement technique is utilised for structural refinements. The maximum entropy method (MEM) is used for the experimental electron density analysis and hence bonding. The 3D, 2D and 1D MEM analyses reveal the weakest tetrahedral A–tetrahedral A bonding and the alteration in tetrahedral A–octahedral B and octahedral B–octahedral B bond strength with doping. Moderate A–O and B–O covalent bonding favours maximum saturation magnetism of 83.59 emu/g for the composition Zn0.05Ca0.95Fe2O4.
The limitations in morphological identification systems and the declining pool of taxonomists signal the need for a new approach to recognize taxa. The recent development of molecular markers revolutionized the entire scenario of life sciences. This article focuses on the utility of DNA-based markers for fern identification. DNA barcoding is an emerging global standard for recognition, and it has simplified the identification process. The Consortium for the Barcode of Life (CBoL) has progressively defined the barcode markers to be used for each taxonomic group. Efforts to identify a correct DNA barcode for discriminating species have been successfully studied in all plant groups. The arrival of molecular phylogenetics has rapidly improved our understanding of fern relationships through DNA sequence data. Barcoding studies on pteridophytes mostly utilized data from several chloroplast markers. The gene rbcL has been used extensively by various researchers for analyzing the evolutionary relationship of ferns at both generic and familial levels. However, this method of fern identification should be used in combination with other approaches for effective identification.
In the present review, an attempt is made to provide an update on the phytochemistry of Indian pteridophytes, covering the recent findings concerning the phytochemical composition of crude extracts and their histochemical, spectroscopic and chromatographic profiles. Primary and secondary metabolites of Indian pteridophytes qualitative and quantitative profiles are taken into consideration. A report on the preliminary phytochemical analysis of 170 species, primary and secondary metabolites quantitative profiles of 115 species, histochemical profiles of 61 species, chromatographic profile (amino acids and sugar) of 43 species, TLC profile of 14 species, HPLC and HPTLC profiles of 23 species and GC-MS profiles of 32 species is included for the present review. The results confirmed the existence of the secondary metabolites, viz. phenolics, tannins, flavonoids, steroids, saponins, triterpenoids, glycosides and alkaloids, in the Indian pteridophytes. The available literature on phytochemistry confirmed that Indian pteridophytes are a pool of therapeutic agents. The outcome of the preliminary phytochemical studies on the qualitative and quantitative profiles of Indian pteridophytes revealed the chemical constituents and therapeutic values and provided the chemical marker for the studied pteridophytes. These profiles will be used as phytochemical markers for the identification of the species in the pharmaceutical industries and to find a solution for the taxonomical disputes. Further studies on the isolation and characterization of active principles responsible for the bioactivity are needed.
From Silurian period, pteridophytes exist in the nature and expected to harbour various useful secondary metabolites. By the presence of secondary metabolites, pteridophytes are able to survive for more than 450 million years and house various biological activities, viz. anti-bacterial, anti-cancer, anti-diabetic, anti-fungal, anti-inflammatory, anti-oxidant, hepatoprotectivity, wound healing, etc. The review intends to summarize the available biopotential of pteridophytes from 2000 to 2021. A total of 244 species are taken into account for the present review. This chapter recorded anti-oxidant potential (135), anti-bacterial and anti-fungal activities (97), cytotoxic properties (61), anti-cancer activities (39), anti-inflammatory activities (26), anti-diabetic potential (23), hepatoprotective properties (9), wound healing potential (7) and larvicidal activities (6) of pteridophytes. We made an attempt to provide an update on the biopotential of pteridophytes. This review might be useful for the pteridologist, phytochemist and pharmacist for further research.
The point of the study is to synthesize Ce1-xYtxO2 (X = 0.00, 0.02, 0.04, 0.06, and 0.08), and to characterize it. A chemical precipitation procedure was used to synthesize the yttrium (Yt) doped cerium oxide (CeO2) powders. Powder X-ray diffraction (XRD) analysis revealed that the phase pure cubic structured CeO2 crystal system exists. The Rietveld refining method has been used to look into the comprehensive structural examination of produced materials. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) were used to examine the surface morphology and elemental content of the produced materials (EDAX). FTIR spectroscopy has revealed the presence of vibrational linkages linked to distinct functional groups. UV–Vis spectroscopy was used to look at the energy gap of synthetic materials.Photoluminescence (PL) analysis was used to investigate the luminescence activity of synthesized materials. Synthesized materials under 380 nm excitation produced a light-green emission at around 516 nm. In addition, the electron density distribution in synthetic materials has been achieved. Furthermore, Pseudomonas aeruginosa and Corynebacterium diphtheria were used to test the antibacterial activity of produced compounds. Hemolysis inquiry was then used to look at the destruction of human red blood cells. The 4% Yt³⁺ dopant level was shown to be the optimal level of Yt³⁺ dopant in the CeO2 host lattice in all of the characterization. The current study opens a viable path for developing efficient biomedical materials.
A two-valued function [Formula: see text] defined on the vertices of a graph [Formula: see text] is a majority bad dominating function (MBDF), if the sum of its function values over at least half the closed neighborhoods is at most one. That is, for at least half the vertices [Formula: see text], [Formula: see text], where [Formula: see text] consists of [Formula: see text] and every vertex adjacent to [Formula: see text]. The majority bad domination number of a graph [Formula: see text], is denoted by [Formula: see text], and is defined as [Formula: see text]. In this paper, we determine some results on majority bad number.
Institution pages aggregate content on ResearchGate related to an institution. The members listed on this page have self-identified as being affiliated with this institution. Publications listed on this page were identified by our algorithms as relating to this institution. This page was not created or approved by the institution. If you represent an institution and have questions about these pages or wish to report inaccurate content, you can contact us here.