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2-Methyl-6-(4-aminophenyl)-4,5-dihydro-3(2H)-pyridazinone synthon for some new annelated 1,2,3-selena/thiadiazoles and 2H-diazaphospholes with anticipated biological activity and quantum chemical calculations

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F23%3A00569361" target="_blank" >RIV/61389013:_____/23:00569361 - isvavai.cz</a>

  • Alternative codes found

    RIV/00216305:26620/23:PU148284

  • Result on the web

    <a href="https://www.mdpi.com/1420-3049/28/3/1280" target="_blank" >https://www.mdpi.com/1420-3049/28/3/1280</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.3390/molecules28031280" target="_blank" >10.3390/molecules28031280</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    2-Methyl-6-(4-aminophenyl)-4,5-dihydro-3(2H)-pyridazinone synthon for some new annelated 1,2,3-selena/thiadiazoles and 2H-diazaphospholes with anticipated biological activity and quantum chemical calculations

  • Original language description

    A convenient and efficient synthetic protocol for the new selenadiazole. Thiadiazole and diazaphosphole derivatives incorporating a pyridazine moiety originating from 4-(4-aminophenyl)-4-oxobutanoic acid (1) were described. All newly synthesized compounds were evaluated for their antimicrobial activity using the disk diffusion method, and their cytotoxicity was evaluated against brine shrimp lethality bioassay. Using density functional theory (DFT), the frontier molecular orbital (FMO) and molecular electrostatic potential (MEPS) were studied to estimate the chemical reactivity and kinetic stability of each structure. Therefore, global descriptor parameters like electronegativity (χ), chemical hardness (η), and global softness (σ) were calculated. Consequently, the attained results were compared with the experimental data of the biological activity of the studied structures.n

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10404 - Polymer science

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2023

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Molecules

  • ISSN

    1420-3049

  • e-ISSN

    1420-3049

  • Volume of the periodical

    28

  • Issue of the periodical within the volume

    3

  • Country of publishing house

    CH - SWITZERLAND

  • Number of pages

    17

  • Pages from-to

    1280

  • UT code for WoS article

    000930079400001

  • EID of the result in the Scopus database

    2-s2.0-85147894222