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Synthesis and Multifaceted Exploration of 4-Phenylpiperidin-4-ol Substituted Pyrazole: Photophysical Insights with Biological Activity
In this study, we successfully synthesized a pyrazole derivative, specifically 4-phenylpiperidin-4-ol substituted pyrazole (CHP), through the reaction of Grignard reagents in combination with pyrazole. This newly synthesized molecule was subjected to a comprehensive evaluation for both its photophysical and biological applications. Notably, CHP exhibited promising invitro antifungal and antibacterial activities, primarily attributed to the presence of the 4-phenylpiperidin-4-ol moiety and resulting component contributed to an enhanced absorption rate of lipids, thereby improving the pharmacological activity of CHP. This correlation between structure and function was further supported by the outcomes of structure-activity relationship studies. Additionally, we conducted in silico studies to examine the molecular interactions of the synthesized molecule with key proteins, including DNA Gyrase, Lanosterol 14 ?-demethylase, and KEAP1-NRF2. The results unveiled robust binding interactions at specific sites within these proteins, indicating potential therapeutic relevance. Furthermore, the photophysical properties of the synthesized compounds were thoroughly investigated using the ab-initio technique. This involved the determination of ground state optimization and HOMO-LUMO energy levels, all calculated with the DFT-B3LYP-6-31G(d) basis set. The assessment of the theoretically estimated HOMO-LUMO value provided insights into the global chemical reactivity descriptors, revealing that the synthesized molecule boasts a highly electronegative and electrophilic index. Taken together, our findings suggest that pyrazole derivatives with 4-phenylpiperidin-4-ol substitutions exhibit promising applications in both photophysical and biological contexts. 2024 Ghaferah H. Al-Hazmi et al., published by Sciendo. -
Synthesis and Nuclear Magnetic Resonance Studies of 2-Thiophenecarboxaldehyde Nicotinic Hydrazone and 2-Thiophenecarboxaldehyde Benzhydrazone
Synthesis and NMR spectral studies of bidentate N and S heterocycles of 2-thiophenecarboxaldehyde nicotinic hydrazone and 2-thiophenecarboxaldehyde benzhydrazone have been carried out. The compounds, 2-thiophenecarboxaldehyde nicotinic hydrazone and 2-thiophenecarboxaldehyde benzhydrazone were synthesized by reacting stoichiometric quantities of nicotinic hydrazide and benzhydrazide with 2-thiophene carboxaldehyde in methanol in the presence of glacial acetic acid at refluxing temperature. Upon cooling the reaction mixture, the products were obtained as colorless solids. 1H, 13C, 1H-1H COSY, and 1H-13C HSQC experiments have been conducted to characterize the compounds. 2020 Malaysian Institute of Chemistry. All rights reserved. -
Synthesis and photophysical properties of a novel phthalimide derivative using solvatochromic shift method for the estimation of ground and singlet excited state dipole moments
A novel phthalimide derivative, 2-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1Hisoindole-1,3(2H)-dione (TMPID) containing an isoindole moiety was synthesized by the cyclisation of 2-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)benzoic acid (TMPCB). The absorbance and fluorescence spectra of the derivative were recorded in fifteen different solvents to investigate their solvatochromic behaviour and dipole moments. Different solvent correlation methods, like the BilotKawski, LippertMataga, Bakhshiev, KawskiChammaViallet and Reichardt methods were employed to estimate the singlet excited and ground state dipole moments. Using multiple regression analysis, solute-solvent, specific and non-specific interactions were analyzed by means of Kamlet-Abboud-Taft and Catalan parameters. Computational studies were performed using time dependent density functional theory (TD-DFT) in order to calculate ground state dipole moment, atomic charges and frontier molecular orbital energies in solvent phase. Experimental and computational studies indicate that the singlet excited state dipole moment of TMPID is greater than the ground state dipole moment. The chemical stability of the derivative was determined by means of chemical hardness (?) using HOMOLUMO energies. From TD-DFT computational analysis, reactive centres in the molecule were evaluated based on molecular electrostatic potential (MESP) 3D plots. 2016 Elsevier B.V. -
Synthesis of 4H-3,1-Benzothiazin-4-Ones via C-N/C-S Bond Forming Reactions
A Phosphine-free and effective process has been expressed for the formulation of N,S-heterocycles following a C-N/C-S bond forming reactions. The described process operates through EDC-HCl-mediated heterocyclization of diverse isothiocyanates and bis-nucleophiles to deliver 1,3-thiazinone derivatives, which eliminates the use of hazardous reagents. The developed protocol was found applicable over a wide range of substrates in delivering N,S-heterocycles in excellent yields at room temperature and short reaction time. 2022 Taylor & Francis Group, LLC. -
Synthesis of bent-shaped azobenzene main-chain polymers for photo-switching properties
This work presents the synthesis of the new bent-core polymers with siloxane units connected to the one side of azobenzene units. The structure of siloxane-based azobenzene bent-core polymers, 7ac, was elucidated by spectral analysis (nuclear magnetic resonance and Fourier-transform infrared spectroscopy). The results of gel permeation chromatography suggested that all polymers (7ac) showed polydisperse (polydispersity index >1). Besides, the extent of polymerization in the following order: 7a > 7b > 7c, where the degree of polymerization values were 7, 8 and 11, respectively. Polarizing optical microscopy revealed that the bent-core liquid crystal (BCLC) monomers, 6a and 6b, displayed the smectic A phase, whereas BCLC monomer 6c and all siloxane-based main-chain polymers (MCPs) (7ac) were crystalline in nature. The result of ultraviolet-visible spectroscopy demonstrated that all MCPs (7ac) exhibited strong photoisomerization behavior in solution. All polymers (7ac) showed trans to cis isomerization in about 200 s, whereas the reverse process required much longer times ranging from 400 to 520 min in solution. The photo-switching study on azobenzene containing polymers stated that the effect of alkyl chain length and type of central core units on trans to cis isomerization were negligible. In contrast, both parameters influence the cis to trans process in which the photo-switching behavior of these materials may be primarily suitably exploited in the field of photo-induced phenomenon. 2023 Taylor & Francis Group, LLC. -
Synthesis of bismuth silicate nanostructures with tunable morphology and enhanced photocatalytic activity
Bismuth oxide due to its narrow bandgap has attracted significant attention as a photocatalyst. A facile and efficient method to synthesize bismuth silicate with tunable morphology and property is achieved in this study. Bismuth oxide and bismuth silicate have been synthesized by surfactant-assisted modified sol-gel method. The fabricated bismuth oxide nanoparticle samples are characterized by various analytical tools such as X-Ray diffractometer, Infra-Red spectroscopy, Scanning Electron microscopy and UV-Diffuse Reflectance spectroscopy. The synthesized nanoparticles exhibit excellent photocatalytic activity for the degradation of Rhodamine B dye in aqueous medium. Bismuth silicate exerts more satisfactory catalytic property and outstanding reusability compared to pure bismuth oxide. The superior stability and enhanced activity enables the application of bismuth silicate as a photocatalyst for environmental remediation. 2019, National Institute of Science Communication and Information Resources (NISCAIR). All rights reserved. -
Synthesis of Chitosan Stabilised Platinum Nanoparticles and their Characterization
A simplistic green synthesis route for the platinum nanoparticles has been successfully identified by using chloroplatinic acid hexahydrate (H2 PtCl6.6H2 O) as the metal precursor and sodium borohydride (NaBH4) as the reducing agent at room temperature. Chitosan was used in minute quantities as capping and stabilizing agent. The visual observation of a black coloured colloidal suspension, the characteristic XRD peaks and the absorption peak in the range of 200-300nm confirmed the production of Pt nanoparticles. The average crystallite size calculated using Debye-Scherrer equation is about 19 2 nm and a less intense absorption peak was found at 246nm and 281nm. The FTIR spectroscopy was used to confirm the capping with chitosan molecules. Zeta-potential calculation gave a surface charge of-23.8mV, and this high negative value, then validated the stability of the nanoparticle. The synthesis of platinum nanoparticles is very significant for their catalytic activity and biomedical applications in industrial as well as healthcare sector. 2023, Books and Journals Private Ltd.. All rights reserved. -
Synthesis of emeraldine PANI polymer-reduced graphene and its use as polyelectrolyte
Abstract: Reduced graphene oxide (rGO)/polyaniline (PANI) composites grabbed the interest of researcher towards the development of electrolyte material. In present research work, we have focused on the synthesis of rGO and PANI by chemical method. The composites are prepared using different amounts of rGO/PANI and lithium carbonate. The main objective is to enhance structural and electrochemical properties of polymer composites. It is observed that proper interface of polymer composites leads towards the desired chargedischarge capacity and cyclic stability with the diffusion of electrons and electrolyte ions. This particular study can be further used for the development of electrochemical device applications. Graphic abstract: [Figure not available: see fulltext.]. 2019, Springer-Verlag GmbH Germany, part of Springer Nature. -
Synthesis of Graphene Oxide Nano Structures from Kerosene Soot and its Impedance Analysis
Graphene oxide was synthesized from kerosene soot, by adapting three different treatments. The properties of each sample were studied using X-ray diffraction, UV-visible spectroscopy, FTIR and impedance measurements. The XRD results showed that the structural parameters (layer spacing, number of layers) were in agreement with expected values, indicating the reliability of kerosene soot as a precursor for graphene. The grain size was found to be small (1 to 2 nm) confirming the nanostructure of kerosene soot. The UV-visible spectra revealed high band gap even while conductivity was appreciably high. Other characteristic measurements showed frequency-independent conductivity, low resistance and low capacitance. FTIR spectra of all the treated samples and the precursor show the differences brought about in functionalization, due to the different methods of treatment. These differences, however, does not appreciably affect parameters such as band gap, conductivity and dielectric loss in any drastic way. 2018 Chemical Publishing Co. All Rights Reserved. -
Synthesis of nano-crystalline tin dioxide and its effect on calcination
Nitrate-citrate gel-combustion method was used in this study to prepare nano-crystalline tin dioxide. The samples were calcined at a temperature range of 543-1173 K. The prepared powder was characterized by SEM, TEM and X-ray diffraction. On increasing the temperature with limited supply of air (calcination), there is a systematic increase in tin content accompanied by a reduction in oxygen. The tetragonal nano tin structure formed during the process has about 20 nm in lateral size. With increase in calcination temperature, the carbon content systematically decreased. 2017, Chemical Publishing Co. All rights reserved. -
Synthesis of Nanoflowers using Garcinia gummi-gutta Leaf Extract via Green Route for Enhanced Antifungal and Anti-cancerous Activities
Due to its envisaged relevance in nanomedicine and materials research, the bio-engineering of nanoparticles (NPs) is becoming progressively more promising. Compared to physical and chemical processes, green synthesis produces NPs that are less hazardous to the environment. The usage of phytochemicals in Garcinia gummigutta (L.) leaf extract (GGL) in the bio-reduction of GGL-Ag NPs with potential antifungal and anti-cancerous activities was the main focus of the current study. UV-vis spectrophotometry at 442 nm verified the synthesized GGL-Ag NPs. The average diameters of the synthesized GGL-Ag NPs were determined by scanning electron microscopy (SEM and zeta-sizer studies to be 166.69 nm and 148.2 nm, respectively. Energy dispersive X-ray spectroscopy (EDS) and X-ray diffraction (XRD) examinations of the GGL-Ag NPs confirmed the crystalline nature and the elemental constitution of the NPs. Additionally, the synthesized GGL-Ag NPs' FTIR spectra demonstrated the presence of Phyto components acting as capping agents. Zeta potential measurements (-26.2 4.13 mV) authenticated the stability of the synthesized GGL-Ag NPs. Antimicrobial activity testing of the GGL-Ag NPs demonstrated considerable suppression against Candida tropicalis and Candida albicans at a dose of 100 g/ml and 60 g/ml. Additionally, the synthesized GGL-Ag NPs have demonstrated considerable cytotoxic effects on the Hep-G2 cell line. The current study results show that GGL-Ag NPs may be produced at a low cost and with minimal environmental impact for nanobiotechnology and biomedicine usage. 2024, Brawijaya University. All rights reserved. -
Synthesis of novel Se capped polymer photocatalyst mobilized under visible light: Exploration of piezoelectric effect and charge transfer mechanism in polymer matrix
The present study has shown the original and promising usage of zero valent metallic selenium in the photocatalysis process under visible light. Selenium (Se) dispersed into the Polyvinyl Chloride (PVC) and Polyvinylidene Fluoride (PVDF) polymeric solution (Se-PVC/Se-PVDF matrix) by reflux-calcination method. The SEM and TEM results shows Se nanoparticles are well disseminated into the polymer solution and homogenously mixed to avert cluster of particles. The results shows that Se-PVC matrix effectively enhanced the generation rate of photoinduced electrons and reduced transfer resistance endorsed by photoluminescence, transient photocurrent, and electrical impedance spectroscopy techniques. Further, photocatalytic activity studied in presence of potassium iodide (KI) and isopropyl alcohol (IPA). The decrease in photocatalytic activity order is: Se-PVC > Se-PVDF > Se-PVC + KI > Se-PVDF + KI > Se-PVC + IPA > Se-PVDF + IPA systems. The piezoelectricity phenomena and Surface Plasmon Resonance (SPR) effect proposed for Se-PVC/Se-PVDF matrix and correlated with photocatalytic mechanism for the degradation of Methyl Orange (MO). 2023 Elsevier B.V. -
Synthesis of porous graphene sheets from agricultural waste by chemical methods
A facile technique to synthesise wrinkled graphene like nano carbon (GNC) agricultural waste like wood and coconut charcoal is reported in the current study. The charcoal is produced by thermal decomposition of wood and coconut shell and is intercalated by Hummer's method. It is separated by centrifugation and sonication to get few layer graphene sheets. The structural and chemical changes of the nanostructure are elucidated by Raman spectroscopy, TEM, SEMEDS and XPS. Raman spectra revealed the existence of highly graphitized amorphous carbon, which is confirmed by the appearance of five peaks in the deconvoluted first order Raman spectra. The SEM analysis reveals the formation of large area graphene sheets with nanoporous structure in it. The TEM/SAED analysis exhibits the presence of short range few layers graphene. 2018 World Research Association. All rights reserved. -
Synthesis of Quinoxalin-2(1 H)-ones and Hexahydroquinoxalin-2(1 H)-ones via Oxidative Amidation-Heterocycloannulation
A metal-catalyst-free synthesis of substituted quinoxalin-2-ones from 2,2-dibromo-1-arylethanone by employing an oxidative amidation-heterocycloannulation protocol is reported. The substrate scope of the reaction has been demonstrated and a possible mechanism for this reaction has also been proposed. 2020 GeorgThieme. All Rights Reserved. -
Synthesis of SnO2-Sodium alginate-polyethylene glycol-crocin nanocomposite for enhanced antimicrobial and anticancer activity
Bacteria and fungi contribute to antibiotic resistance, posing a growing threat to human health, while cervical cancer remains a significant health concern, impacting women's well-being and mortality rates worldwide. In the present work, the efficiency of formulated tin oxide-sodium alginate-polyethylene glycol-crocin nanocomposites (SnO2-SAPEG-Cro-NCs) on antimicrobial as well as growth inhibition and apoptosis induction in cervical cancer cells was evaluated. The developed nanostructure was exposed to several spectroscopic investigations, including UV, FTIR, XRD, PL, EDAX, DLS studies, and FESEM structural observation. The results of the antimicrobial study revealed increased inhibition zones from 8.5 to 16 mm around the SnO2-SAPEG-Cro-NCs treatment over different pathogens, which proves its antimicrobial efficacy. The findings of the MTT study demonstrated that SnO2-SAPEG-Cro-NCs (0.510 ?g/mL) treatment remarkably inhibited the HeLa cell viability with IC50 concentration of 5 ?g/mL. The SnO2-SAPEG-Cro-NCs-treated HeLa cells also revealed increased intracellular ROS generation at 5 and 7.5 ?g/mL, which may facilitate oxidative stress-mediated cell death. Further, the dual staining and DAPI staining results demonstrated that the SnO2-SAPEG-Cro-NCs treatment effectively increased the apoptosis in the cervical cancer HeLa cells. Overall, the outcomes authorized that SnO2-SAPEG-Cro-NCs is an excellent antimicrobial and anticancer agent for future use. 2024 Elsevier B.V. -
Synthesis of ZnO and NiO nano ceramics composite high-performance supercapacitor and its catalytic capabilities
NiO and ZnO mixed nanocomposites were manufactured using the solution combustion process. As-prepared samples were analyzed using XRD. The XRD shows an average crystallite size of 3540 nm. The elemental composition determined by EDS indicates a nearly equal proportion of Ni and Zn, with an atomic ratio of Ni/Zn = 0.96. The specific capacitances of NiO is 295.5 Fg-1, ZnO is 117.3 Fg-1 and ZnO/NiO nanocomposites is 561.75 Fg-1 which are more than NiO and ZnO alone. This study shows that constructing binary oxide nanocomposites is an approach for developing high-performance supercapacitor electrode materials. Experimental observations on catalytic activity revealed that NiO/ZnO increased catalytic activity. Furthermore, adding NiO to ZnO in the composite increased the overall amount of oxygen vacancies in the samples. Our research lays the door for a simple, inexpensive, nontoxic, and quick technique to synthesize binary transition metal oxide-based electrode materials for high-performance supercapacitors. 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. -
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 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 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.