Experimental and Theoretical Studies on the Inclusion Process of the Benzoxazolinone in β-Cyclodextrin

被引：0
|
作者：
Habiba Maamar Stiti [1 ]
Abdel-Ghani Bouzit [1 ]
Nedjoua Boudjahem [2 ]
Meryem Cheghib [1 ]
Rabah Derdare [1 ]
undefined Ksouri [1 ]
机构：
[1] Computational Catalysis Group,
[2] Laboratory of Applied Chemistry,undefined
[3] University of Guelma,undefined
[4] BP 401,undefined
[5] Research Centre in Analytical Chemistry and Physics (CRAPC),undefined
[6] BP 248,undefined
[7] Algiers RP,undefined
来源：
Russian Journal of Physical Chemistry A | 2025年 / 99卷 / 2期
关键词：
benzoxazolinone; β-cyclodextrin; inclusion complex; HOMO; LUMO; PM3; ONIOM2;
D O I：
10.1134/S0036024424703266
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：237 / 249
页数：12
相关论文
共 50 条
  • [41] MOLECULAR CHARACTERIZATION OF TRANS FERULIC ACID: β-CYCLODEXTRIN INCLUSION COMPLEX. EXPERIMENTAL AND THEORETICAL APPROACH
    Mic, Mihaela
    Pirnau, Adrian
    Floare, Calin G.
    Miclaus, Maria O.
    Kacso, Irina
    Tihauan, Bianca M.
    Axinie , Madalina
    Marc, Gabriel
    Oniga, Ovidiu
    Crisan, Ovidiu
    FARMACIA, 2024, 72 (04) : 765 - 778
  • [42] Theoretical and experimental investigations of organic acids/cyclodextrin complexes and their consequences upon the formation of miconazole/cyclodextrin/acid ternary inclusion complexes
    Barillaroa, Valery
    Dive, Georges
    Bertholet, Pascal
    Evrard, Brigitte
    Delattre, Luc
    Frederich, Michel
    Ziemons, Eric
    Piel, Geraldine
    INTERNATIONAL JOURNAL OF PHARMACEUTICS, 2008, 347 (1-2) : 62 - 70
  • [43] Spectroscopic (fluorescence, 1D-ROESY) and theoretical studies of the thiabendazole and β-cyclodextrin inclusion complex
    G. L. Alexandrino
    A. Calderini
    N. H. Morgon
    F. B. T. Pessine
    Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2013, 75 : 93 - 99
  • [44] Formation of β-Cyclodextrin inclusion compound with doxycycline: A theoretical approach
    Peraro, Cristian R.
    Anconi, Amanda C. S. A.
    Anconi, Cleber P. A.
    CHEMICAL PHYSICS LETTERS, 2018, 692 : 140 - 145
  • [45] Inclusion complexes of sulphanilamide drugs and β-cyclodextrin: a theoretical approach
    G. Venkatesh
    T. Sivasankar
    M. Karthick
    N. Rajendiran
    Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2013, 77 : 309 - 318
  • [46] Inclusion complexes of sulphanilamide drugs and β-cyclodextrin: a theoretical approach
    Venkatesh, G.
    Sivasankar, T.
    Karthick, M.
    Rajendiran, N.
    JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, 2013, 77 (1-4) : 309 - 318
  • [47] Theoretical approach in the study of the inclusion processes of sulconazole with β-cyclodextrin
    Fatiha, Madi
    Khatmi, D. E.
    Largate, L.
    JOURNAL OF MOLECULAR LIQUIDS, 2010, 154 (01) : 1 - 5
  • [48] Theoretical studies of inclusion complexes of alpha- and beta-cyclodextrin with benzoic acid and phenol
    Huang, MJ
    Watts, JD
    Bodor, N
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 65 (06) : 1135 - 1152
  • [49] Spectroscopic (fluorescence, 1D-ROESY) and theoretical studies of the thiabendazole and β-cyclodextrin inclusion complex
    Alexandrino, G. L.
    Calderini, A.
    Morgon, N. H.
    Pessine, F. B. T.
    JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, 2013, 75 (1-2) : 93 - 99
  • [50] Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and beta-Cyclodextrins
    Kicuntod, Jintawee
    Sangpheak, Kanyani
    Mueller, Monika
    Wolschann, Peter
    Viernstein, Helmut
    Yanaka, Saeko
    Kato, Koichi
    Chavasiri, Warinthorn
    Pongsawasdi, Piamsook
    Kungwan, Nawee
    Rungrotmongkol, Thanyada
    SCIENTIA PHARMACEUTICA, 2018, 86 (01)
12345