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
  • [21] Inclusion Complexes of Pachypodol with Unmodified and Modified Cyclodextrin Nanocarriers: Theoretical Studies
    Magham, Abbas Heshmati Jannat
    Baygi, Seyyedeh Mahnaz Naseri
    CHEMICAL METHODOLOGIES, 2024, 8 (08): : 603 - 625
  • [22] Chiral discrimination of ibuprofen isomers in β-cyclodextrin inclusion complexes:: experimental (NMR) and theoretical (MD, MM/GBSA) studies
    Núñez-Agüero, CJ
    Escobar-Llanos, CM
    Díaz, D
    Jaime, C
    Garduño-Juárez, R
    TETRAHEDRON, 2006, 62 (17) : 4162 - 4172
  • [23] Theoretical and Experimental Investigations on Inclusion Complex β-Cyclodextrin and Sulcatone: A Cardiovascular Activity Evaluation
    Silva, Ivan S.
    Feitosa, Eduardo L.
    Santos, Marcio E. P.
    Silva, Raiane M.
    Rocha, Marcio S.
    da Silva, Francisco, I
    Lima, Francisco C. A.
    Costa, Ana Maria S.
    Alves, Pericles B.
    de Sousa, Samuel A. A.
    Oliveira, Aldeidia P.
    de Lima, Sidney G.
    JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 2020, 31 (05) : 1064 - 1077
  • [24] Theoretical studies of inclusion complexes of beta-cyclodextrin with methylated benzoic acids
    Huang, MJ
    Watts, JD
    Bodor, N
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 64 (06) : 711 - 719
  • [25] Experimental and theoretical studies on the inclusion complexation of syringic acid with α-, β-, γ- and heptakis(2,6-di-O-methyl)-β-cyclodextrin
    Song, Le Xin
    Wang, Hai Ming
    Xu, Peng
    Yang, Yan
    Zhang, Zi Qiang
    CHEMICAL & PHARMACEUTICAL BULLETIN, 2008, 56 (04) : 468 - 474
  • [26] Circular dichroism and theoretical studies on the inclusion of the antimalarian drug Licochalcone-A in β-cyclodextrin
    Giancarlo Marconi
    Sandra Monti
    Francesco Manoli
    Stefano Ottani
    Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2007, 57 : 279 - 282
  • [27] Circular dichroism and theoretical studies on the inclusion of the antimalarian drug Licochalcone-A in β-cyclodextrin
    Marconi, Giancarlo
    Monti, Sandra
    Manoli, Francesco
    Ottani, Stefano
    JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, 2007, 57 (1-4) : 279 - 282
  • [28] Inclusion studies of falcarinol in β-cyclodextrin
    Karioti, A.
    Leonti, M.
    Bergonzi, M.
    Bilia, A.
    PLANTA MEDICA, 2011, 77 (12) : 1370 - 1370
  • [29] The Effect of Alkali Iodide Salts in the Inclusion Process of Phenolphthalein in β-Cyclodextrin: A Spectroscopic and Theoretical Study
    Kouderis, Constantine
    Tsigoias, Stefanos
    Siafarika, Panagiota
    Kalampounias, Angelos G. G.
    MOLECULES, 2023, 28 (03):
  • [30] Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes
    Voskuhl, Jens
    Waller, Mark
    Bandaru, Sateesh
    Tkachenko, Boryslav A.
    Fregonese, Carlo
    Wibbeling, Birgit
    Schreiner, Peter R.
    Ravoo, Bart Jan
    ORGANIC & BIOMOLECULAR CHEMISTRY, 2012, 10 (23) : 4524 - 4530
12345