Liste des Publications[ Laboratoire de chimie Théorique et de Spectroscopie Moléculaire (LCTSM)]

Quantum-chemical study of the coordination of some biguanides and their ndeprotonated derivatives

Article, Ajoutée le 27/01/2021 15:52

The biguanides [HN=C(NR1R2)-NH-C(NR3R4)= NH] constitute an important family of molecules used as drugs in the treatment of diabetes. The five nitrogen atoms are potential coordination sites since they each carry a free electron pair. In the state o [...]

AÏDOTE FRANÇOIS [1], KUEVI URBAIN [2], KPOTIN ASSONGBA GASTON [3], KPOTA HOUNGUE MAHOUGBE TATA ALICE [4], ATOHOUN GUY SYLVAIN [5], MENSAH JEAN-BAPTISTE [6],

Quantochemical study of the thiosemicarbazone coordination and its methylated derivatives

Article, Ajoutée le 26/01/2021 21:11

Thiosemicarbazone is a molecule containing the R1R2C=N-NR3-C (=S)-NR4R5 group. The sulfur and nitrogen atoms has some free electron pairs. Some thiosemicarbazone are known to have many medicinal properties. They are usually mediated by an associati [...]

KUEVI URBAIN AMAH [1], KPOTIN ASSONGBA [2], SYLVAIN ATOHOUN [3], KPOTA HOUNGUE MAHOUGBE TATA ALICE [4], MENSAH JEAN-BAPTISTE [5],

Dft study of the coordination of n-monochlorosubstituted derivatives of the n-deprotonated tautomer of the biguanide

Article, Ajoutée le 26/01/2021 20:46

Biguanides [HN=C(NR1R 2 )-NH-C(NR3R 4 )=NH] constitute an important family of molecules used as drugs in the treatment of diabetes. When R1 =R2 =R3 =R4 =H the molecule is named simply “biguanide”. The five nitrogen atoms are potential coord [...]

AÏDOTE FRANÇOIS [1], KUEVI URBAIN AMAH [2], KPOTIN ASSONGBA GASTON [3], ATOHOUN SYLVAIN GUY YACOLÉ [4],

A density functional theory analysis of the relationships between electronic structure and kcnq2 potassium channels inhibition by a series of retigabine derivatives

Article, Ajoutée le 18/02/2020 23:05

A quantum-chemical analysis of the relationships between electronic structure and KCNQ2 potassium channels inhibition was carried out for a group of retigabine derivatives. For the quantitative structure-activity relationship (QSAR) investigation, we [...]

GOMEZ-JERIA JUAN SEBASTIAN [1], KPOTIN ASSONGBA GASTON [2],

Theoretical study of relation between electronic structure and antiplasmodial activity of chalcone derivatives

Article, Ajoutée le 18/02/2020 22:26

Malaria is a parasitic disease that is widespread in the world and endemic to intertropical zones. According to World Health Organization, Africa is the most affected by malaria, especially in its sub-Saharan zone. Important work has been done on mal [...]

ANATOVI WILFRIED [1], KPOTIN A. GASTON [2], KPOTA-HOUNGUE M. T. ALICE [3], KUEVI URBAIN AMAH [4], ATOHOUN YACOLÈ GUY SYLVAIN [5],

Quantum mechanistic study of furan and 2-methylfuran hydrodeoxygenation on molybdenum and tungsten sulfide clusters

Article, Ajoutée le 18/02/2020 22:10

One of the possibilities of limiting carbon dioxide emissions is to use pyrolysis oils from biomass. However, their very high oxygen content confers to these oils a chemical instability and a high viscosity. Among the oxygen-containing compounds pr [...]

KANHOUNNON G. WILFRIED [1], KUEVI URBAIN AMAH [1], KPOTIN A GASTON [3], KOUDJINA SIMPLICE [4],

Publications par entité

  • Centre de Formation et de Recherche en matière de Population (CEFORP) (16)
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  • Chaire Internationale en Physique Mathématique et Applications (CIPMA-Chaire UNESCO) (32)
  • Ecole Doctorale Pluridisciplinaire <<Espaces, Culture et Développement>> (0)
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  • INSTITUT NATIONAL DE LA JEUNESSE DE L’EDUCATION PHYSIQUE ET SPORT(INJEPS) (202)
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