Science Journal of Chemistry

Volume 11, Issue 3, June 2023

  • Synthesis of (E)-1-benzyl-4-benzylidenepyrrolidine-2, 3-dione: Spectroscopic Characterization and X-ray Structure Determination

    Mouhamadou Fofana, Mohamet Diop, Cheikh Ndoye, Grégory Excoffier, Mohamed Gaye

    Issue: Volume 11, Issue 3, June 2023
    Pages: 71-77
    Received: May 04, 2023
    Accepted: May 18, 2023
    Published: May 29, 2023
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    Abstract: The compound (E)-1-benzyl-4-benzylidenepyrrolidine-2,3-dione was synthetized using Ethyl 1-benzyl-4,5-dioxopyrrolidine-3-carboxylate, and benzaldehyde in Ethanol/HCl medium. The isolated compound was characterized by elemental analyses, 1H and 13C NMR and FTIR spectroscopy. Suitable crystal for X-ray diffraction was obtained from slow evaporation o... Show More
  • Study of the Quantitative Structure Activity Relationship (QSAR) of a Series of Molecules Derived from Thioureas with Anticancer Activities in the Liver

    Doumbia Siriki, Dembele Georges Stephane, Tuo Nanou Tieba, Konate Bibata, Kodjo Charles, Ziao Nahosse

    Issue: Volume 11, Issue 3, June 2023
    Pages: 78-87
    Received: May 09, 2023
    Accepted: May 27, 2023
    Published: Jun. 09, 2023
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    Abstract: The study of the quantitative structure activity relationship (QSAR) of liver cancer was carried out using a series of twenty-five (25) molecules derived from thioureas. The molecular descriptors were obtained after optimization of all these molecules at the B3LYP/6-31+ G (d, p) computational level. The multiple linear regression (MLR) method was u... Show More
  • Modelling Interactions Between Flavanols and Amine Acids: Case of Catechin and Epicatechin with Alanine; NBO, AIM, NCI Analysis

    Essoh Akpa Eugene, N’Guessan Boka Robert, Adenidji Ganiyou, Adjou Ane, Bamba El Hadji Sawaliho

    Issue: Volume 11, Issue 3, June 2023
    Pages: 88-107
    Received: May 10, 2023
    Accepted: May 29, 2023
    Published: Jun. 09, 2023
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    Abstract: The interactions between two flavanols (Catechin and Epicatechin) and (Ala) Alanine (aliphatic amino acid) are evaluated by theoretical chemistry methods. Calculations at the level DFT/B3LYP/6-31+G (d, p) determine their characteristics and those of the monomers. Geometric, energetic, and spectroscopic parameters in addition to QTAIM (Quantum Theor... Show More
  • Concerted [2+2] Oxidative-Cycloadition-Cycloreversion versus Cyclopropanation Reactions at M-carbene Center

    Mitan Carmen-Irena

    Issue: Volume 11, Issue 3, June 2023
    Pages: 108-136
    Received: May 20, 2023
    Accepted: Jun. 13, 2023
    Published: Jun. 27, 2023
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    Abstract: The selectivity of olefin metathesis catalyzed by metal-alkylidene LnM=CHR, a reversible sequence of concerted [2+2] oxidative-cycloadition-cycloreversion at metal center, which fits to π–CAM (Complex Assisted Metathesis) principle or π-bond mode, in other words a transalkylidenation reaction through a metallacyclobutane intermediate, as well as th... Show More