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

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],

Comparative study of the antioxidant properties of trolox, ascorbic acid and butyl hydroxytolene (bht) by the methods of quantum chemistry

Article, Ajoutée le 14/02/2018 16:00

By functional B3LYP of the DFT, and in two bases set (6-311G (d, p), cc-pDVZ), and by the semi-empirical method AM1 a theoretical study of the antioxidant properties of three molecules (the trolox, the ascorbic acid and butyl hydroxy toluene) was car [...]

CHABI DOKO RODRIGUE [1], KPOTA HOUNGUE MAHOUGBE TATA ALICE [2], KPOTIN ASSONGBA GASTON [3], KUEVI URBAIN AMAH [4], ATOHOUN YACOLÈ GUY SYLVAIN [5], MENSAH JEAN-BAPTISTE [6],

Dft study of chemical reactivity of free radicals abts°+ and dpph° by myricetin, quercetin and kaempferol

Article, Ajoutée le 14/02/2018 15:51

Myricetin, quercetin and kaempferol are polyphenols belong to the group of flavonoids. They are known for their many biological activities and particularly their strong ability to trap free radicals that cause nuisance to living organisms. In order t [...]

KPOTA HOUNGUE MAHOUGBE TATA ALICE [1], CHABI DOKO RODRIGUE [2], KPOTIN ASSONGBA GASTON [3], KUEVI URBAIN AMAH [4], KOUDJINA SIMPLICE [5], KANHOUNNON G. WILFRIED [6],

A dft study or the relationship between the electronic structure and the antiplasmodial activity of a series of 4-anilino-2-trichloromethylquinazolines derivaties

Article, Ajoutée le 09/02/2018 23:34

A theoretical study of the relationships between the electronic structure and the antiplasmodial activity of a series of 4-anilino-2-trichloromethylquinazolines derivatives on plasmodium genes was carried out. The electronic structure of molecules wa [...]

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

3. a theoretical study of the relationships between electronic structure and inhibitory effects of caffeine derivatives on neoplastic transformation

Article, Ajoutée le 09/02/2018 16:47

A DFT study of the relationships between electronic structure and inhibitory effects of caffeine derivatives on neoplastic transformation was carried out. We obtain one statistically significant equation (R=0.97, R²= 0.94, adjusted R²= 0.92, F(7,34) [...]

KPOTIN ASSONGBA GASTON [1], KANKINOU S. GAUTIER [2], KUEVI URBAIN AMAH [3], GOMEZ-JERIA JUAN SEBASTIAN [4], MENSAH JEAN-BAPTISTE [5],

Publications par entité

  • Centre de Formation et de Recherche en matière de Population (CEFORP) (21)
  • Centre Interfacultaire de Formation et de Recherche en Environnement pour le Développement Durable (CIFRED) (43)
  • Chaire Internationale en Physique Mathématique et Applications (CIPMA-Chaire UNESCO) (45)
  • Ecole Doctorale Pluridisciplinaire <<Espaces, Culture et Développement>> (0)
  • Ecole Nationale d'Administration et de Magistrature (ENAM) (73)
  • Ecole Nationle d'Economie Appliquée et de Management (88)
  • Ecole Normale Supérieure (35)
  • Ecole Polytechnique d'Abomey-Calavi (EPAC) (1126)
  • Faculté de droit et de Science Politique (FADESP) (114)
  • Faculté des Lettres et Sciences Humaines (FLASH) (1381)
  • Faculté des Lettres, Langues, Arts et Communications (FLLAC) (0)
  • Faculté des Sciences Agronomiques (1943)
  • Faculté des Sciences de la Santé (FSS) (2339)
  • Faculté des Sciences Economiques et de Gestion (FASEG) (190)
  • Faculté des Sciences et Techniques (FAST) (1082)
  • Faculté des Sciences Humaines et Sociales (FASHS) (70)
  • Institut de Formation et de Recherche en Informatique (IFRI) (76)
  • Institut de Géographie de l'Aménagement du territoire et de l'Environnement (IGATE) (0)
  • Institut de Mathématiques et de Sciences Physiques (IMSP) (124)
  • Institut National de l'Eau (INE) (28)
  • INSTITUT NATIONAL DE LA JEUNESSE DE L’EDUCATION PHYSIQUE ET SPORT(INJEPS) (241)
  • Institut National des Métiers d'Art d'Archéologie et de la Culture (INMAAC) (11)
  • Institut National Médico Sanitaire ( INMeS) (0)
  • Institut Régional de Santé Publique (IRSP) (84)

Publications par sexe

  • Femme( 1402 )
  • Homme (