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Synthesis, mechanisms, challenges, and future prospects of Ti3C2 MXene and its heterojunctions for photocatalytic dye degradation efficiency: a comprehensive review
In recent years, significant attention has been given to developing novel two-dimensional (2D) materials, including MXenes. Titanium carbide (Ti3C2) is one such MXene with a bandgap ranging from 0.92 eV to 1.75 eV. MXenes possess unique physical and chemical properties that make them useful in various applications, including electrocatalysis, supercapacitors, semiconductors, batteries, sensing, biomedicine, water splitting, and photocatalysis. Research on environmental photocatalysis has focused on enhancing properties such as high conductivity, structural stability, and morphology. However, a single catalytic material may not be sufficient to achieve high catalytic efficiency. Hence, there is a need to modify MXenes. This review provides an overview of the various synthesis methods of MXene and their remarkable properties. It also discusses recent advances in MXene composites and catalytic mechanisms for dye degradation. To improve the catalytic performance of MXene, a heterojunction and Schottky junction are proposed. 2023 Elsevier Ltd -
Synthesis, Mechanical Properties and Thermal Stability of Polydimethylsiloxane Nanocomposites
The polydimethylsiloxane/nano-graphite (PDMS-NG) nanocomposites were prepared via a two rolled mixing mill and subjected to characterization using techniques such as Transmission Electron Microscopy (TEM), stress-strain analysis during elongation, as well as thermal properties including Thermo-Gravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC). The transition temperature was observed to be below-70C for PDMS nanocomposites reinforced with Nano-Graphite (NG). The thermogram from the thermo-gravimetric analysis indicated that at 10%, 20%, 30%, and 50% weight loss, the temperatures for PDMS nanocomposites were higher compared to unfilled PDMS. These findings suggest a substantial improvement in the thermal stability of PDMS-NG nanocomposites. 2023, Books and Journals Private Ltd. All rights reserved. -
Synthesis, in vitro and theoretical studies on newly synthesized deep blue emitting 4-(p-methylphenylsulfonyl-5-aryl/alkyl)oxazole analogues for biological and optoelectronic applications
In the present study, a series of 4,5-di-substituted oxazole derivatives (compounds 2a-p) were synthesized, using a novel methodology for the simultaneous determination of their biological and optoelectronic applications. Among the screened molecules, compounds 2j, 2 l and 2o showed very good antimicrobial potencies with MICs up to 1 g/mL. Furthermore, the photophysical parameters were estimated using theoretical and experimental techniques for optoelectronic applications. The excited-state dipole moment being higher than that of the ground state, investigated using solvato-chromatic method showed a redistribution of the electron densities in the excited state for the fluorophores. The HOMO-LUMO energies of the fluorophores estimated by using density functional theory (DFT) are found to be in good agreement with the experimental values. The electrophilic and nucleophilic sites were also recognized with the help of molecular electrostatic potential 3D plots using time-dependent-DFT computational analysis. The specific and non-specific interactions between the solutesolvent were analyzed by multiple linear regression analysis using Kamlet-Abound-Taft and Catalan parameters. Further, the global chemical reactivity descriptor parameter was also calculated. The photophysical properties of the fluorophores suggest that these may be considered as potential probes for OLED, solar cell, and chemosensor applications. 2022 Elsevier B.V. -
Synthesis, growth mechanism and physical properties of vapour-deposited GaTe platelets /
Journal Of Applied CrystalloGraphy, Vol.47, Issue 6,pp.1841-1848, ISSN No: 1600-5767. -
Synthesis, growth mechanism and physical properties of vapour-deposited GaTe platelets
The physical vapour deposition (PVD) method has been employed to yield gallium telluride (GaTe) platelets. The morphology and growth mechanism of these platelets were investigated with the aid of scanning electron micrographs. The stoichiometry and homogeneity of the grown samples were confirmed by chemical analysis. The X-ray diffraction (XRD) technique has been used to explore the structure and phase of the compound. On the basis of the Archimedes principle, the density of crystals was estimated to be 5.442 kg mm-3. The resistivity and conductivity type were determined by the van der Pauw method. UV-vis-NIR studies revealed a direct transition with an energy gap of 1.69 eV. Mechanical properties such as microhardness, toughness, Young's modulus and elastic stiffness constant of GaTe crystals in response to the stress field due to an external load were studied to realize their suitability for radiation detector applications. The present observations provide an insight into the physical properties of the vapour-grown GaTe platelets, which are found to be superior over their melt counterparts. 2014 International Union of Crystallography. -
SYNTHESIS, GROWTH AND CHARACTERISATION OF AN ORGANOMETALLIC SINGLE CRYSTAL
The strong influence of single crystals in the present day technology is evident from the recent advancements in semiconductors, polarisers, transducers, infrared detectors, photosensitive materials and crystalline thin films for microelectronics and computer industries. Nonlinear optical crystals (NLO) are in great demand in view of their applications in areas like optical modulation, optical switching, frequency shifting and optical data storage for developing technologies in telecommunications and signal processing. Organometallic single crystals are specially noted among the new generation NLO crystal due their structural diversity and applications. In this present work, organometallic compounds of manganese mercury thiocyanate (MMTC) and Co2+ doped MMTC were synthesised and single crystals were grown by slow evaporation method. The grown crystals were subjected to various characterisation techniques like X-ray diffraction analysis, FT-IR analysis and UV spectroscopy. Dielectric and photo conductivity studies were also performed. The first chapter in the dissertation brings out the importance of organometallic NLO crystals. Literature survey on the NLO crystals is also included in this chapter. An introduction to solution growth techniques is given in the second chapter. All the characterization techniques used for the work are introduced in the third chapter. The fourth chapter describes the synthesis, growth and characterization studies of MMTC and Co2+ doped MMTC. The last chapter contains results and discussions leading to the conclusion. -
Synthesis, Green Photoluminescence and Studies of Nonlinear Optical Spatial Self Phase Modulation Effect in 2D Ga2Te3 Nanosheets
The liquid-phase exfoliation (LPE) technique has been employed to prepare two-dimensional (2D) gallium telluride (Ga2Te3) nanosheets with an average thickness of ?2.4 nm and linear optical properties, including UV-visible absorption and photoluminescence (PL) emission characteristics of the sample in the green wavelength region are reported. The third-order nonlinear optical (NLO) responses of the colloidal suspension of 2D Ga2Te3 are determined at 532 and 632 nm wavelengths by a spatial self-phase modulation (SSPM) experiment. The value of the third-order NLO refraction coefficient (n2e) and effective susceptibility for monolayer (?(3)Mono) 2D Ga2Te3 under 532 (632) nm continuous wave (CW) excitation is extracted to be 2.60 10-7 (0.32 10-7) cm2/W and 1.12 10-9 (1.37 10-10) e.s.u., respectively. The origin of the observed SSPM patterns under 532 nm excitation was elucidated theoretically. Finally, the correlation of ?(3)Mono with the mobility of charge carriers for a vast number of 2D materials is utilized to establish the origin of the observed NLO effect under 532 nm pump laser radiation in the 2D Ga2Te3. Additionally, NLO absorption coefficients of 2D Ga2Te3 have been extracted using the femtosecond Z-scan technique at 800 nm. We observed a switching behavior (saturable to threephoton absorption) in the nonlinear absorption mechanism with different input peak intensities. The highest three-photon absorption coefficient of ?1.68 cm3/GW2 was observed for a 350 GW/cm2 peak intensity. We believe that such reports of interesting linear and NLO properties of this newly synthesized 2D material can be utilized in the future for a wide number of optoelectronic applications. 2023 American Chemical Society. -
Synthesis, DFT and In Silico Anti-COVID Evaluation of Novel Tetrazole Analogues
A new series of 3-aryl/heteroaryl-2-(1H-tetrazol-5-yl) acrylamides have been synthesized through catalyst-free, one-pot cascade reactions, utilizing click chemistry approach and evaluated for their anti-COVID activities against two proteins in silico. The structural properties of the synthesized molecules were evaluated based on DFT calculations. Total energy of the synthesized tetrazole compounds were obtained through computational analysis which indicate the high stability of the synthesized compounds. The Frontier Molecular Orbitals (FMO) and associated energies and molecular electrostatic potential (MEP) surfaces were generated for the compounds. Spectral analysis by DFT gave additional evidence to the structural properties of the synthesized molecules. All tetrazole analogues come under good ADMET data as they followed the standard value for ADMET parameters. Docking studies offered evidence of the molecules displaying excellent biological properties as an anti-Covid drug. Compound 4 g exhibited excellent anti-COVID-19 properties with four hydrogen binding interactions with amino acids GLN 2.486 GLN 2.436 THR 2.186 and HSD 2.468 with good full-fitness score (1189.12) and DeltaG (7.19). Similarly, compound 4d shown potent activity against anti-COVID-19 mutant protein (PDB: 3K7H) with three hydrogen binding interactions, i.e., SER 2.274 GLU 1.758 and GLU 1.853 with full-fitness score of 786.60) and DeltaG (6.85). The result of these studies revealed that the compounds have the potential to become lead molecules in the drug discovery process. 2022 Taylor & Francis Group, LLC. -
Synthesis, crystal structure and photophysical properties of (E)-4-(4-(2-hydroxybenzylideneamino)benzyl)oxazolidin-2-one
A new Schiff base, (4-(benzylideneamino)benzyl)oxazolidin-2-one has been synthesised from 4-(4-aminobenzyl)oxazolidin-2-one and salicylaldehyde by a simple condensation reaction. Single-crystal X-ray analysis of (E)-4-(4-(2-hydroxybenzylideneamino) benzyl)oxazolidin-2-one (HBOA) revealed that there is a 1-D, slipped, face-to-face motif with off-set, head-to-tail stacked columns. Detailed studies on photophysical properties of the synthesised compound in solutions indicate their potential applications in the field of organic light emitting devices and nonlinear optical materials. Absorption and fluorescence study of HBOA has been conducted in a series of solvents with increasing polarity at room temperature. Ground and excited state dipole moments have been determined experimentally by using LippertMataga polarity function, Bakhshiev solvent polarity parameter, KawskiiChammaViallet solvent polarity parameter and Richardt?s microscopic solvent polarity parameter. Due to the considerable ?-electron density redistribution, the excited state dipole moment was found to be larger than that of the ground state. The ground state dipole moment value was determined by quantum chemical method which was used to estimate excited state dipole moment through solvatochromic correlations. KamletTaft and Catalan methods were used to get the information of both non-specific solutesolvent interactions and hydrogen bonding interactions. TD-DFT (B3LYP/6-311G(d,p)) has been used for the determination of HOMOLUMO energies. Mulliken charges and Molecular electrostatic potential were also evaluated from DFT calculations. 2016 Elsevier B.V. -
Synthesis, Computational, and Photophysical Probing Studies on Mono-Azo Sulfonamides, and Their Antibacterial Activity
Abstract: Objective: Novel azo-linked substituted sulfonamides were synthesized via diazo coupling with the molecular formula (C9H10N4O2S2, C11H11N3O2S) and characterized by FT-IR, UV-vis, HR-MS, and 1H NMR spectroscopy techniques. The photophysical studies were carried out using experimental techniques. Absorption and fluorescence maxima of all the synthesized molecules were determined by using different solvents. Our synthesized mono-azo derivatives are interested in identifying the cellular target site for sulfonamides (F1-F2) and (P1-P2). The newly synthesized compounds were examined for their in vitro antibacterial activity against Staphylococcus aureus and Escherichia coli strains. Methods: In this study, we focused on the sulfonamide architecture. Antibacterial activity of compound (F1), (F2), (P1), and (P2) derivatives was studied by measuring the diameter of the inhibition zone, using the Disc-agar diffusion method. Results and Discussion: Density functional theory was used to demonstrate the electronic and optical properties of the synthesized molecules. In the correlation between the HOMOLUMO energy gap, the derivative (F1) shows a higher (3.9866 eV) and (F2) shows a lower (3.2063 eV) excitation energy. The synthesized compound (F1) looks into antibacterial activity, exhibited more zone inhibition 25 mm in the concentration 75 L/mL in gram-negative bacteria when compared with the common antibiotic Ciprofloxacin. Additionally, the results emerged from the in silico molecular docking studies the compound (F2) showed highest binding energy against cyclin-dependent kinase (?Gb = 9.8 kcal/mol). Conclusions: The synthesized four mono-azo sulfonamide derivatives (F1), (F2), (P1), and (P2) are reported in photophysical, CDFT, antibacterial, and molecular docking studies with relevant results. Pleiades Publishing, Ltd. 2024. -
Synthesis, characterizations, and electrochromic studies of WO3 coated CeO2 nanorod thin films for smart window applications
In this work, Cerium oxide nanorods were synthesized on Fluorine doped Tin oxide (FTO) substrate by a hydrothermal technique involving Ce(NO3)36H2O (Cerium Nitrate Hexahydrate) and CH4N2O (Urea). The DC magnetron sputtering was used to deposit a thin layer of WO3 on Cerium Oxide nanorods in the presence of argon gas at room temperature. With the prepared CeO2/WO3 thin films as the working electrode, saturated AgCl2 as the reference electrode, and platinum mesh as the counter electrode, a three-electrode electrochemical cell was developed with 0.5 M H2SO4 solution diluted in deionized (DI) water as the electrolyte. The electrochromic studies displayed a coloration efficiency of 10.14 cm2/C for 0.1 M film. SEM, UVVisible, XRD, and electrochemical analyzer were used to investigate the surface morphology, optical properties, composition, and electrochromic performance of the prepared thin films. A combination of CeO2 nanorods and WO3 coating has been proved to be a potential material for Electro Chromic Devices (ECD), because of its large charge capacity and optical transmission behavior. 2022 Elsevier B.V. -
Synthesis, characterization, magnetic, thermal and electrochemical studies of Oxovanadium(IV) Complex of 2-thiophenecarba benzhydrazone
The hydrazone ligand obtained from 2-thiophene carboxaldehyde and benzhydrazide react with an equimolar mixture of vanadyl acetyl acetonate in methanol to yield oxovanadium(IV) complex of 2-thiophenecarba benzhydrazone. The prepared compound shows effective solubility in organic solvents like acetonitrile, DMF and DMSO. Molar conductivity data of oxovanadium( IV) complex of 2-thiophenecarba benzhydrazone revealed its nonelectrolytic behavior in DMF and DMSO. EPR spectra of 2-thiophenecarba benzhydrazonato oxovanadium(IV) was recorded in DMF at LNT and g and A values were calculated. The complex was proposed to be square pyramidal in geometry. Cyclic voltammograms of the complex in DMF were studied by changing the scan rates 50, 100, and 200 mV/s. ? E values of the complex showed the reversible criterion and ipc/ipa values which were close to 1 indicating the redox couple as reversible. Thermograms of the complex were recorded to find the weight loss at different temperature ranges. Matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) mass spectra showed mass number of the molecular ions. 2018 River Publishers. -
Synthesis, Characterization of Chromium Oxide Powders and Coatings
The chromium oxide powders are transformed into plasma sprayable particles by using synthetic polymers for agglomeration. In order to carry out the agglomeration process, spray drying technique was employed. This research work highlights the significance of the process variables that control the synthesis of plasma spray powder and consequently, the properties that were suited for plasma sprayoating. Energy Dispersive Spectroscopy (EDS) was used to characterize the elemental composition, while scanning electron microscopy (SEM) was used to analyse the morphology and powder grain sizes and X-ray diffraction (XRD) was used to identify the phase structure. And for the development of coatings on the substrates, Atmospheric plasma spray (APS) technique was used. The plasma sprayable powders were created with the intention of investigating for use as corrosion-resistant coatings. 2023 Trans Tech Publications Ltd, All Rights Reserved. -
Synthesis, Characterization and Studies of Hydrazine Based Polyfunctional Ligands and their Metal Chelates
Eight new hydrazine-based zinc (II), copper (II) complexes were synthesized by reacting Zn (OAc)2.2H2O and Cu(CH3COO)2 with N'??(3,5-dibromo-2-hydroxy benzylidene) benzohydrazide (H2L1) and N'??(3,5-dibromo-2-hydroxy benzylidene) nicotinichydrazide (H2L2) respectively. The synthesized complexes were characterized by CHN analyses, IR, UV and 1H NMR. Based on these studies, square planar and octahedral geometries of the metal complexes were revealed. The synthesized metal complexes named [Zn(H2L1)2](OAc)2, [Zn(H2L1)Py](OAc)2, [ZnL2]2, [ZnL2Py], [CuL1]2, [CuL1Py], [CuL2]2 and [CuL2Py]. The formed metal complexes were investigated for DNA binding studies by fluorescence and UV spectroscopy using calf thymus DNA (CT-DNA) and DNA cleavage studies against pBR322 DNA. Both the ligands and their corresponding metal complexes showed the ability for binding to DNA through intercalation/ electrostatic binding. -
Synthesis, characterization and photophysical studies of a novel schiff base bearing 1, 2, 4-Triazole scaffold
A novel Schiff base derivative containing 1, 2, 4-triazole nucleus (TMPIMP) was synthesized from 4- [1,2,4] triazol-1-ylmethyl-phenylamine and salicylaldehyde in the presence of glacial acetic acid in an ethanolic medium. The synthesized compound was characterized by 1H-NMR, IR and UV spectral analysis. The excitation and emission spectra of triazolyl methyl phenyl imino methyl phenol (abbreviated as TMPIMP) were recorded in various solvents to investigate their solvatochromic behaviour. Dipole moments of the two electronic states of TMPIMP were calculated from solvatochromic spectral shifts. These were correlated with refractive index (?) and dielectric constant (?) of various solvents. Theoretical calculations were performed to estimate the excited state dipole moment on the basis of different solvent correlation methods, like the Bilot-Kawski, Bakhshiev, Lippert-Mataga, Kawski-Chamma-Viallet and Reichardt methods. The dipole moment in the excited state was found to be higher than that in the ground state due to a substantial redistribution of electron densities and charges. Using a multiple regression analysis, the solvent-solute interactions were determined by means of Kamlet Taft parameters (?, ?, ??). Computational studies were performed by Gaussian 09 W software using a time-dependent density functional theory (TD-DFT) in order to calculate the atomic charges and frontier molecular orbital energies in the solvent phase. The calculations indicated that the dipole moment of the molecule in an excited state is much higher than that in a ground state. The chemical stability of TMPIMP was determined by means of chemical hardness (?) using HOMO-LUMO energies. The reactive centers in the molecule were also identified by molecular electrostatic potential (MESP) 3D plots as a result of TD-DFT computational analysis. 2016 Elsevier B.V. All rights reserved. -
Synthesis, characterization and crystal structure of N'-[(E)-furan-2-ylmethylidene]furan-2-carbohydrazide /
European Journal of Chemistry, Vol.5, Issue 3, pp.174-176, ISSN No: 2153-2249. -
Synthesis, characterization and catalytic activity of oxovanadium(IV) complexes of heterocyclic acid hydrazones
Two acid hydrazones, furan-2-carbaldehyde nicotinic hydrazone (L1) and furan-2-carbaldehyde benzhydrazone (L2) have been synthesized and they are characterized by elemental analysis, IR, NMR and UV spectral analysis. Oxovanadium(IV) complexes of these two hydrazones were synthesized and characterized by elemental analysis, IR, UV, EPR, molar conductivity and magnetic susceptibility measurements. Conductivity measurements reveal that the complexes are non-electrolytes. Spectral data indicates the square pyramidal geometry for the monomeric five coordinated oxovanadium(IV) complexes with the general formula [VO(L)(OCH3)]. The complex was studied for its catalytic activity and was found to be a good catalyst in quinoxaline synthesis. -
Synthesis, characterization and biological activity studies on 6-p-dimethylaminophenyl-5,6-dihydrobenzoimidazo [1,2-c]quinazoline: Crystal structure of the title compound and comparative study with related derivatives
Reaction of o-aminophenylbenzimidazole with p-dimethylaminobenzaldehyde yielded 6-p-dimethylamin-ophenyl-5,6-dihydrobenzoimidazo[ 1,2-c]quinazoline, which was characterized by elemental analysis, IR, UV-Vis, 1H NMR, 13C NMR, mass spectral studies and X-ray crystal structure analysis. Studies on the antimicrobial activity of the compound revealed that it is active against fungus Yeast but not Bacillus subtilis. The compound crystallized in the space group P2 1/n with the unit cell parameters a = 10.652(2) b = 11.002(2) c = 15.753(2) ? = 109.29(2) and the structure was refined to an R-factor of 0.0479. The hydropyrimidine ring in the quinazoline moiety is in skew-boat conformation. The dimethylamino group attached to phenyl ring is in conjugation with it. The structure was stabilized by intermolecular C-H-N interactions. A few of the related quinazolines (6-p-hydroxyphenyl-5,6-dihydrobenzoimidazo [1,2-c]quinazoline; 6-phenyl-5,6-dihydrobenzoimidazo[1,2-c]quinazoline; 6-pyridyl-5,6- dihydrobenzoimidazo[1,2-c]quinazoline; 6-furyl-5,6-dihydrobenzoimidazo[1,2-c] quinazoline) were also examined for their biological activity, in addition to their characterization by IR, UV-Vis, JH and 13C NMR spectral studies along with structural comparison. Springer Science+Business Media, LLC 2011. -
Synthesis, characterization and application of rare earth (Lu3+) doped zinc ferrites in carbon monoxide gas sensing and supercapacitors
The novel rare earth (Lu) doped zinc ferrite nanoparticles, synthesized via a solution combustion approach, exhibit exceptional sensitivity to carbon monoxide (C.O.), a capability studied for the first time. The successful detection of C.O. by these nanoparticles underscores their potential as efficient gas sensors. Structural and morphological characterization confirmed the creation of single-phase zinc ferrite nanoparticles, utilizing various standard and advanced modern probes. To assess the gas sensing capabilities, the nanoparticles were exposed to carbon monoxide gas, revealing an outstanding gas response of 80 % at 300 C, with a response against 20,000 parts per million by volume (PPMv) of carbon monoxide. These results indicate the promising applicability of Lu-doped zinc ferrite nanoparticles in C.O. gas sensing applications. Furthermore, the supercapacitance performance of the synthesized nanoparticles was investigated. Electrodes fabricated from Lu-doped zinc ferrite nanoparticles (Lu 0, 0.3, 0.5, and 0.7) were examined in a 3 M K.O.H. electrolyte using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (E.I.S.). The electrochemical properties of all nanoparticles exhibited good Faradaic behaviour, with the Lu 0.7 electrode achieving a high specific capacitance of 280 F/g at a current density of 0.25 A/g. This highlights the prominent electrochemical stability and potential applications of Lu-doped zinc ferrite nanoparticles in energy storage devices. Overall, the comprehensive investigation of the gas sensing and super capacitance performance of Lu-doped zinc ferrite nanoparticles demonstrates their versatility and potential for various technological applications, including gas sensing and energy storage. These findings pave the way for further research and development in utilizing rare earth-doped ferrite nanoparticles for advanced functional materials. 2024 Elsevier Ltd and Techna Group S.r.l. -
Synthesis, characterization and antimicrobial studies of novel Schiff bases and their complexes
Novel Schiff bases, Furan-2-carboxylic acid pyridin-4-ylmethyleneamide, and Thiophene-2-carboxylic acid 1H-indol-2-ylmethyleneamide and their mononuclear Ni(II) and Cu(II) complexes have been synthesized and characterized by elemental analysis, molar conductance, UV-visible, FT-IR, 1H NMR and EPR spectroscopy. The complexes are non-electrolytes as evidenced from the molar conductance vaules. The ligands and their complexes have been tested for their antimicrobial activity against one gram positive bacteria, Bacillus subtilis, gram negative bacteria, Escherichia coli and fungi Candida albicans. It is found that metal complexes exhibited more activity than the free ligand. 2021 Scientific Publishers. All rights reserved.