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Now showing items 11-19 of 19
Design and in silico study of the novel coumarin derivatives against SARS-CoV-2 main enzymes
(2022)
The novel coronavirus (SARS-CoV-2) causes severe acute respiratory syndrome and can be fatal. In particular,
antiviral drugs that are currently available to treat infection in the respiratory tract have been
experienced, ...
Spectroscopic (FT-IR, NMR, single crystal XRD) and DFT studies including FMO, Mulliken charges, and Hirshfeld surface analysis, molecular docking and ADME analyses of 2-amino-4 -fluorobenzophenone (FAB)
(2022)
In this work, synthesis, and crystal structure of molecule 2-amino-4 -fluorobenzophenone (FAB) is con- firmed by using FT-IR, FT-Raman, 1 H and 13 C NMR chemical shifts, compared with calculated parameters using B3LYP/ ...
Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity
(2022)
The new structure for B8N8 nanocage was revealed. This structure is completely different from the known
structure. The structural properties of investigated structures were investigated and compared with each other.
The ...
Anti-corrosion behavior of 2-((3-(2-morpholino ethylamino) -N3-((pyridine-2-yl)methyl)propylimino)methyl)pyridine and its reduced form on Carbon Steel in Hydrochloric Acid solution: Experimental and theoretical studies
(2022)
A comparative investigation of the corrosion inhibition of two ligands, 2-((3-(2-morpholinoethylamino)-N3-
((pyridine-2-yl)methyl) propylimino) methyl)pyridine (SB) and N1-(2-morpholinoethyl)-N1,N3-bis(pyridine-2-
ylme ...
Experimental and theoretical investigation of corrosion inhibition effect of two piperazine-based ligands on carbon steel in acidic media
(2022)
In this study, the corrosion of carbon steel in 1.0 M HCl solutions containing either 1,4-bis(2-(2-hydroxyethyliminomethyl)
phenyl)piperazine (1) or its reduced form, 1,4-bis(2-(2-hydroxyethylaminomethyl)phenyl)piperazine
(2), ...
Synthesis of diaryl urea derivatives and evaluation of their antiproliferative activities in colon adenocarcinoma
(2022)
Colon cancer is one of the leading causes of cancer-related deaths today. Serious research for ideal chemotherapy continues today. In this context, newly synthesized molecules have an essential role in cancer treatment ...
Determination of structural, spectral, computational and OLED properties of Ex2.2Box2+ Cyclophane and its derivatives: Experimental and computational study
(2022)
Ex 2.2 Box 2 + Cyclophane was synthesized, and spectral characterization of this compound was completed
by using 1 H, 13 CNMR, and ESI-MS spectroscopy. Furthermore, this compound and its seven derivatives
were investigated ...
Synthesis, In Vitro Cytotoxicity, and DFT Studies of Novel 2- Amino Substituted Benzonaphthyridines as PDK1 Inhibitors
(2022)
The present work emphasizes the utility of 2,4-dichloro-5-
methylbenzo[h][1,6]naphthyridine as starting precursors. The
reaction of 2,4-dichloro-5-methylbenzo[h][1,6]naphthyridine
with a variety of aliphatic and aromatic ...
Lignin grafted hydroxyapatite entrapped in polyacrylamide: Characterization and adsorptive features for Th4+ and bovine serum albumin
(Elsevier, 2022)
Water-soluble sulfolignin (SL) was grafted onto hydroxyapatite (Hap) by using epichlorohydrin. SLgHap was then entrapped in cross-linked polyacrylamide by in situ polymerizations of acrylamide and N, N′ -methylenebisacrylamide ...