Synergistic aggregation of the ibuprofenate anion and a a double-strand imidazolium cation into vesicles for drug delivery: a simulation study

Theoretical study on the solvation mechanism of camptothecin in ionic liquids

“…21,22 The original configurations of the mixed systems were composed of 30 CPT molecules and 512 ion pairs, all of which were prepared using Packmol in a cubic box. 23 The field parameters of the compounds were generated by the all-atom OPLS model developed by Acevedo and Tirado-Rives, 24 which had been used in other MD simulation studies, 25,26 and it was found that the simulation results well correlated with the experimental results. It is worth emphasizing that IL's charges were scaled to AE0.8 e to minimize the polarization and charge transfer effects, as has been successfully adopted in previous reports as the unit charge could lead to the overestimated electrostatic interaction and consequently the underestimated dynamic properties.…”

Synthesis and physical properties of tunable aryl alkyl ionic liquids based on 1-aryl-4,5-dimethylimidazolium cations

“…Ionic liquids (ILs) are a special class of solvents generally defined as salts with melting points below 100 °C [1]. Due to their unique properties, e.g., their high thermal stability and their negligible vapor pressure [2,3], ILs have found widespread use in different fields of chemistry like synthesis [4][5][6][7][8][9], catalysis [10][11][12][13][14] and materials science [15][16][17][18][19][20][21][22][23]. ILs generally consist of an organic cation [24], such as the imidazolium or ammonium ion and an inorganic anion like a halide anion or weakly coordinating anions like bis(trifluoromethylsulfonyl)imide [NTf 2 ] − [25].…”

Review on novel targeted enzyme drug delivery systems: enzymosomes

“…58 Pharmaceuticals are spatially inducted near the diseased organ or tissue by new carriers, particularly via chemical derivatization. Many glaucoma, 59–64 ulcerative colitis, 65–77 colon disease, 78–83 NSAIDS, 84–93 and insulin-like treatment medications 94–103 have improved absorption and effect duration. Vesicular medication distribution reduces treatment costs and enhances pharmacodynamics, 104–111 especially for drugs that are poorly absorbed.…”

“…58 Pharmaceuticals are spatially inducted near the diseased organ or tissue by new carriers, particularly via chemical derivatization. Many glaucoma, [59][60][61][62][63][64] ulcerative colitis, [65][66][67][68][69][70][71][72][73][74][75][76][77] colon disease, [78][79][80][81][82][83] NSAIDS, [84][85][86][87][88][89][90][91][92][93] and insulin-like treatment medications [94][95][96][97][98][99][100][101][102][103] have improved absorption and effect duration. Vesicular medication distribution reduces treatment costs and enhances pharmacodynamics, [104][105]…”