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1.
Heliyon ; 10(4): e25591, 2024 Feb 29.
Article in English | MEDLINE | ID: mdl-38370257

ABSTRACT

The current study focuses the nanocomposites of Ag/WO3 was synthesized via hydrothermal method and extract of Aloe-vera gel was used. Various characterization techniques were used for the analysis of Ag/WO3 nanocomposites which includes SEM (scanning electron microscope), EDX (Energy dispersive spectroscopy), XRD (X-ray diffraction), FTIR (Fourier transform infrared), UV (ultraviolet-visible-spectroscopy) to tell about elemental composition, shape and crystalline structure, band gap, functional group. The presence of composition of elements O, W, Ag in Ag/WO3 nanocomposites was confirmed through EDX spectrum. The hexagonal crystal structure and the border peaks in Ag/WO3 nanocomposites were examined through XRD spectra. The Anti-oxidant activity was synthesized by using (DPPH) free Radical in Ag/WO3 nanocomposites. The outcomes of present study exhibited an excellent anti-oxidant activity and also indicated the reduction of stabilized free radical DPPH analysis using Aloe vera extract. The result revealed that the anti-oxidant activity of Ag/WO3 nanocomposites is essential for biomedical application and various industries.

2.
Molecules ; 28(7)2023 Mar 30.
Article in English | MEDLINE | ID: mdl-37049866

ABSTRACT

In the present study, a new series of 1,2,3-triazole derivatives was synthesized via a click one-pot reaction. The synthesized compounds were found to be active during molecular docking studies against targeted protein 1T69 by using the Molecular Operating Environment (MOE) software. The designed and synthesized compounds were characterized by using FT-IR, 1H-NMR and LC-MS spectra. The synthesized triazole moieties were further screened for their α-amylase and α-glucosidase inhibitory activities. The preliminary activity analysis revealed that all the compounds showed good inhibition activity, ranging from moderate to high depending upon their structures and concentrations and compared to the standard drug acarbose. Both in silico and in vitro analysis indicated that the synthesized triazole molecules are potent for DM type-II. Out of all the compounds, compound K-1 showed the maximum antidiabetic activity with 87.01% and 99.17% inhibition at 800 µg/mL in the α-amylase and α-glucosidase inhibition assays, respectively. Therefore these triazoles may be further used as promising molecules for development of antidiabetic compounds.


Subject(s)
Hypoglycemic Agents , alpha-Glucosidases , Hypoglycemic Agents/chemistry , alpha-Glucosidases/metabolism , Molecular Docking Simulation , Structure-Activity Relationship , Glycoside Hydrolase Inhibitors/chemistry , Spectroscopy, Fourier Transform Infrared , Triazoles/pharmacology , Triazoles/chemistry , Molecular Structure , alpha-Amylases/metabolism
3.
J Chem Phys ; 153(24): 244201, 2020 Dec 28.
Article in English | MEDLINE | ID: mdl-33380108

ABSTRACT

[n]Cycloparaphenylene ([n]CPP) molecules have attracted broad interests due to their unique properties resulting from the distorted and strained aromatic hoop structures. In this work, we apply sub-nanometer resolved tip-enhanced Raman spectroscopy (TERS) to investigate the adsorption configurations and structural deformations of [12]CPP molecules on metal substrates with different crystallographic orientations. The TERS spectra for a [12]CPP molecule adsorbed on the isotropic Cu(100) surface are found to be essentially the same over the whole nanohoop, indicating an alternately twisted structure that is similar to the [12]CPP molecule in free space. However, when the [12]CPP molecules are adsorbed on the anisotropic Ag(110) surface, the molecular shape is found to be severely deformed into two types of adsorption configurations: one showing an interesting "Möbius-like" feature and the other showing a symmetric bending structure. Their TERS spectral features are found to be site-dependent over the hoop and even show peak splitting for the out-of-plane C-H bending vibrations. The deformed structural models gain strong support from the spatial distribution of "symmetric" TERS spectra at different positions on the hoop. Further TERS imaging, with a spatial resolution down to ∼2 Å, provides a panoramic view on the local structural deformations caused by different tilting of the benzene units in real space, which offers insights into the subtle changes in the aromatic properties over the deformed hoop owing to inhomogeneous molecule-substrate interactions. The ability of TERS to probe the molecular structure and local deformation at the sub-molecular level, as demonstrated here, is important for understanding surface science as well as molecular electronics and optoelectronics at the nanoscale.

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