Synthesis, antibiotic modifying activity, ADMET study and molecular docking of chalcone (E)-3-(2,4-dichlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one in strains of Staphylococcus aureus carrying MepA efflux pumps.
Sign Up to like & getrecommendations! Published in 2021 at "Archives of microbiology"
DOI: 10.1007/s00203-021-02666-z
Abstract: The Staphylococcus aureus bacteria is a Gram-positive, immobile, non-spore bacterium, with catalase and positive coagulase, among other characteristics. It is responsible for important infections caused in the population and for hospital infections. Because of that… read more here.
Keywords: dichlorophenyl hydroxyphenyl; chalcone dichlorophenyl; hydroxyphenyl prop; chalcone ... See more keywords
A first principles study of key electronic, optical, second and third order nonlinear optical properties of 3-(4-chlorophenyl)-1-(pyridin-3-yl) prop-2-en-1-one: a novel D-$$\pi $$π-A type chalcone derivative
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Computational Electronics"
DOI: 10.1007/s10825-017-1050-3
Abstract: In this work we assess the significant electrooptic properties of a novel chalcone derivative 3-(4-chlorophenyl)-1-(pyridin-3-yl) prop-2-en-1-one using a computational approach. The ground-state molecular geometry was optimized, and geometrical parameters and vibrational modes are established and… read more here.
Keywords: chalcone derivative; second third; pyridin prop; chlorophenyl pyridin ... See more keywords
Optical and Photophysical Investigation of (2E)-1-(2,5-Dimethylfuran-3-Yl)-3-(9-Ethyl-9H-Carbazol-3-Yl)Prop-2-en-1-One (DEPO) by Spectrofluorometer in Organized Medium
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Fluorescence"
DOI: 10.1007/s10895-017-2088-0
Abstract: Abstract(2E)-1-(2,5-dimethylfuran-3-yl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one (DEPO) was prepared by the reaction of 9-ethyl-9H-carbazole-3-carbaldehyde with 1-(2,5-dimethylfuran-3-yl)ethanone under microwave irradiation. The structure of DEPO was established experimentally by EI-MS, FT-IR, 1H and 13C NMR spectral studies. Electronic absorption and emission spectra… read more here.
Keywords: dimethylfuran ethyl; depo; ethyl carbazol; prop one ... See more keywords
Synthesis, spectroscopic investigations (FT-IR, NMR, UV–Vis, and TD-DFT), and molecular docking of (E)-1-(benzo[d][1, 3]dioxol-6-yl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2016.10.005
Abstract: Abstract The compound ( E )-1-(benzo [ d ] [1, 3] dioxol-6-yl)-3-(6-methoxy naphthalen-2-yl) prop-2-en-1-one (AKN) was synthesized and characterized by FT-IR, NMR, and UV–Vis spectrometer. The optimized molecular geometry, bond lengths, bond angles, atomic charges,… read more here.
Keywords: nmr vis; benzo dioxol; prop one; compound ... See more keywords
Synthesis, XRD crystal structure, spectroscopic characterization, local reactive properties using DFT and molecular dynamics simulations and molecular docking study of (E)-1-(4-bromophenyl)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-one
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.02.045
Abstract: Abstract In the present study, the title compound named as (E)-1-(4-bromophenyl)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-one was synthesized and structurally characterized by single-crystal X-ray diffraction. The FT-IR spectrum was recorded and interpreted in details with the aid of Density Functional… read more here.
Keywords: trifluoromethoxy phenyl; molecular dynamics; study; prop one ... See more keywords
Crystal packing analysis of 1-(3,4-dimethoxyphenyl)-3-(4-bromophenyl)prop-2-en-1-one exhibiting a putative halogen bond CBr⋯O
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.11.094
Abstract: Abstract The title compound, 1-(3,4-dimethoxyphenyl)-3-(4-bromophenyl) prop-2-en-1-one (1DBr) was synthesized and characterized based on spectroscopic analysis (MS, FT-IR, Elemental analysis, UV–visible, 1H NMR and 13C NMR) and finally the three-dimensional structure is confirmed using single crystal… read more here.
Keywords: dimethoxyphenyl bromophenyl; bromophenyl prop; bond; analysis ... See more keywords
Key functions analysis of a novel nonlinear optical D-π-A bridge type (2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl) prop-2-en-1-one chalcone: An experimental and theoretical approach
Sign Up to like & getrecommendations! Published in 2017 at "Optical Materials"
DOI: 10.1016/j.optmat.2017.06.038
Abstract: Abstract In the current work a new third-order nonlinear optical organic single crystal of (2 E )-3-(4-Methylphenyl)-1-(3-nitrophenyl) prop-2-en-1-one ( ML3NC ) has been grown with well-defined morphology using the slow evaporation solution growth technique. X-ray… read more here.
Keywords: order; methylphenyl nitrophenyl; nitrophenyl prop; prop one ... See more keywords
Crystal structure, linear and nonlinear optical properties of three thiophenyl chalcone derivatives: A combined experimental and computational study
Sign Up to like & getrecommendations! Published in 2020 at "Optical Materials"
DOI: 10.1016/j.optmat.2020.110462
Abstract: Abstract Three thiophenyl chalcone derivatives, (E)-1-(5-bromo-2-thienyl)-3-(4-bromophenyl)prop-2-en-1-one (B5B2SC), (E)-1-(5-bromo-2-thienyl)-3-(3-chlorophenyl)prop-2-en-1-one (3C5B2SC), and (E)-1-(5-bromo-2-thienyl)-3-(2-methoxyphenyl)prop-2-en-1-one (2M5B2SC), were successfully synthesized and crystallized. The structures were confirmed by experimental and theoretical FTIR and 1H NMR spectra. The crystal structures were determined… read more here.
Keywords: thiophenyl chalcone; three thiophenyl; chalcone derivatives; prop one ... See more keywords
Theoretical Studies into the Spectral Characteristics, Biological Activity, and Photovoltaic Cell Efficiency of Four New Polycyclic Aromatic Chalcones
Sign Up to like & getrecommendations! Published in 2020 at "Polycyclic Aromatic Compounds"
DOI: 10.1080/10406638.2020.1747097
Abstract: Abstract In the present work, the molecules, (E)-1-(4,4″-difluoro-5′-methoxy-1,1′:3′,1″-terphenyl-4′-yl)-3-phenylprop-2-en-1-one (DFTP), (2E)-1-(4,4″-difluoro-5′-methoxy-1,1′:3′,1″-terphenyl-4′-yl)-3-(4-fluorophenyl)prop-2-en-1-one (TFTP), (2E)-3-(4-bromophenyl)-1-(4,4″-difluoro-5′-methoxy-1,1′:3′,1″-terphenyl-4′-yl)-prop-2-en-1-one (BFTP), and (E)-1-1(4,4″-difluoro-5′-methoxy-1,1′:3′-1″-terphenyl-4′-yl)-3-(4-methylphenyl)prop-2-en-1-one (FMTP) have been synthesized and vibrational wavenumbers and electronic properties have also been performed. The compound series shows good light… read more here.
Keywords: difluoro methoxy; methoxy terphenyl; polycyclic aromatic; prop one ... See more keywords
Crystal structure of (2E)-1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one
Sign Up to like & getrecommendations! Published in 2022 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989022007423
Abstract: The title molecule is nearly planar with a slight structural bend involving the carbonyl group. The molecules pack in the crystal by intermolecular C—H⋯O/F hydrogen bonding, π–π stacking, and H–π interactions. read more here.
Keywords: structure ethoxyphenyl; fluorophenyl prop; prop one; ethoxyphenyl fluorophenyl ... See more keywords
Crystal structure and Hirshfeld surface analysis of 3-(3-hydroxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one hemihydrate
Sign Up to like & getrecommendations! Published in 2023 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989023001925
Abstract: 3-(3-Hydroxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one (3HPPP) crystallized as planar molecule together with half a molecule of water in the asymmetric unit in the monoclinic crystal system with space group P2/c. A Hirshfeld surface analysis for the chalcone component showed… read more here.
Keywords: hydroxyphenyl pyrrol; pyrrol prop; surface analysis; prop one ... See more keywords