Rohit S. Shinde

Bio: Rohit S. Shinde is an academic researcher from Savitribai Phule Pune University. The author has contributed to research in topics: Mulliken population analysis. The author has an hindex of 1, co-authored 2 publications receiving 1 citations.

Design, fabrication, antitubercular, antibacterial, antifungal and antioxidant study of silver doped ZnO and CuO nano candidates: A comparative pharmacological study

Abstract: In the present study, ZnO, CuO, CuO/ZnO, 5% Ag/CuO, 10% Ag/CuO, 5%Ag/ZnO, and 10% Ag/ZnO NPs were synthesized to develop bio-nano medicines with potent antibacterial, antifungal, and antioxidant properties. XRD, HR-SEM, EDAX, and HR-TEM spectral analyses were used to establish the structural characteristics of the synthesized NPs. According to the XRD study, the average particle size for CuO NPs was 23.42 ​nm, for ZnO NPs it was 28.00 ​nm, and for CuO/ZnO nanocomposite; 25.58 ​nm. The agglomeration of NPs in ZnO and CuO NPs, as well as the presence of agglomeration and nanorods in the CuO–ZnO nanocomposite, were identified using HR-SEM. In the present study, CuO NPs have a cubic crystal structure, whereas ZnO NPs have a hexagonal crystal structure, as confirmed by HR-TEM. Both cubic and hexagonal crystal lattices were found in the CuO/ZnO nanocomposites. The Ag incorporation into the ZnO and CuO NPs was confirmed using the EDAX. Disc diffusion assay was used to access the antibacterial and antifungal activities whereas REMA assay was used to establish MIC values. Antibacterial analyses were performed against S. aureus, B. subtilis, B. megaterium, Escherichia coli, and M. tuberculosis, while antifungal studies were conducted on R. oryzae, M. mucido, A. niger, and C.albicans. The antimicrobial activities of ZnO NPs were found to be more influenced by Ag incorporation than CuO NPs. The optimal dopant for enhancing the antimicrobial activities of the synthesized ZnO NPs was found to be 5% Ag. Furthermore, DPPH and OH radical scavenging results uncovered that synthesized NPs possessed good antioxidant potential.

Ultrasound Assisted Synthesis, Molecular Structure,UV-Visible Assignments, MEP and Mulliken Charges Study of (E)-3-(4-chlorophenyl)-1-(4-methoxyphenyl) prop-2-en-1-one: Experimental and DFT Correlational

Abstract: Present investigation deals with the synthesis and density functional theory study (DFT) of a chalcone derivative; (E)-3-(4-chlorophenyl)-1-(4methoxyphenyl)prop-2-en-1-one (CPMPP). The synthesis of a CPMPP has been carried out by the reaction of 4-methoxyacetophenone and 4-chlorobenzalehyde in ethanol at 300C under ultrasound irradiation. The structure of a synthesized chalcone is affirmed on the basis of FT-IT, 1H NMR and 13C NMR. The geometry of a CPMPP is optimized by using the density functional theory method at the B3LYP/6-31G(d,p) basis set. The optimized geometrical parameters like bond length and bond angles have been computed. The absorption energies, oscillator strength, and electronic transitions have been derived at the TD-DFT method at the B3LYP/631G(d,p) level of theory for B3LYP/6-31G(d p) optimized geometries. The effect of polarity on the absorption energies is discussed by computing UV-visible results in dichloromethane (DCM). Since theoretically obtained wavenumbers are typically higher than experimental wavenumbers, computed wavenumbers were scaled with a scaling factor, and vibrational assignments were made by comparing experimental wavenumbers to scaled theoretical wavenumbers. Quantum chemical parameters have been determined and examined. Molecular electrostatic potential (MEP) surface plot analysis has been carried out at the same level of theory. Mulliken atomic charge study is also discussed in the present study. CONTACT Rohit S. Shinde chemistry.rss@gmail.com PG Department of Chemistry, Mahatma Gandhi Vidyamandir’s Arts, Science and Commerce College, Manmad, Taluka-Nandgaon, DistrictNashik, India-423104. (Affiliated to Savitribai Phule Pune University, Pune, maharashtra, India. © 2021 The Author(s). Published by Enviro Research Publishers. This is an Open Access article licensed under a Creative Commons license: Attribution 4.0 International (CC-BY). Doi: http://dx.doi.org/10.13005/msri/180110 Article History Received: 23 March 2021 Accepted: 13 April 2021

Use of Pyrimidine and Its Derivative in Pharmaceuticals: A Review

Abstract: The pharmacological activities of the pyrimidine nucleus were impressive. Compounds with a pyrimidine nucleus have a broad variety of pharmaceutical applications, including antiviral, antibacterial, anti-inflammatory, sedatives and hypnotics, antidepressant, anticonvulsant, anti-thyroid, anti-Alzheimer and, according to the literature. As a result, the focus of this review is on research on various pharmaceuticals activities of pyrimidine analogs that has recently been published in the scientific literature.

Efficient photocatalytic degradation of eosin blue dye and antibacterial study using nanostructured zinc oxide and nickel modified zinc oxide

Abstract: • Successful synthesis of ZnO and Ni/ZnO and their characterization. • Photocatalysis of EB dye using ZnO and Ni/ZnO. • Enhanced photocatalysis of EB dye using modified Ni/ZnO. • Various photocatalysis parameters were studied. • Antibacterial screening using ZnO and Ni/ZnO. This article describes the fabrication of ZnO and 5% Ni 2+ modified ZnO nanocatalyst (Ni/ZnO) for the photocatalytic degradation of eosin blue (EB) dye. To demonstrate the successful formation of nanocatalyst and study the structural and morphological aspects, as well as the chemical compositions, we employed X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS) techniques. The optical band gap was investigated using Ultraviolet-visible (UV-Vis) spectroscopy, whereas the Zn-O band was revealed using Fourier transform infrared (FTIR) spectroscopy. To illustrate the optimized photocatalytic conditions for the degradation of EB dye, the parameters like initial EB dye concentration, catalyst loading, pH effect, and contact time were investigated. When compared to undoped ZnO and other reported nanocatalyst, the Ni/ZnO nanocatalyst displayed significantly better photocatalytic performance in the photocatalytic degradation of EB dye. With 0.8 g/L catalyst loading, 110 min contact period, and 8.0 pH, the photocatalytic efficiency was higher. Under optimized photocatalytic conditions, the results suggested that a Ni/ZnO nanocatalyst could be a potential nanomaterial for developing an enhanced doped nanocatalyst for EB removal. To confirm the presence of reactive oxygen species during photocatalysis, a radical scavenging experiment was performed using benzoquinone and isopropyl alcohol scavengers. The reusability of the produced nanocatalyst for four cycles confirms its stability and efficiency over multiple cycles. Furthermore, the Ni/ZnO was found to have significant antibacterial action against Staphylococcus aureus .