Chemical Physics, Год журнала: 2024, Номер 585, С. 112374 - 112374
Опубликована: Июль 2, 2024
Язык: Английский
Chemical Physics, Год журнала: 2024, Номер 585, С. 112374 - 112374
Опубликована: Июль 2, 2024
Язык: Английский
Materials Science in Semiconductor Processing, Год журнала: 2024, Номер 173, С. 108109 - 108109
Опубликована: Янв. 8, 2024
Язык: Английский
Процитировано
16Chemical Physics Impact, Год журнала: 2023, Номер 7, С. 100347 - 100347
Опубликована: Окт. 17, 2023
Assessing an idea of metal-doped fullerenes (MF) as promising drug carriers hydroxycarbamide (Hyd) anticancer was done in this work by performing density functional theory (DFT) calculations. A model carbon fullerene doped each iron (Fe), nickel (Ni), and zinc (Zn) transition metal atoms to provide enhanced FeF, NiF, ZnF for working towards the Hyd regarding delivery issues. The were optimized their evaluated features indicated a possibility occurrence MF → Hyd@MF mechanism through involving O…M H…C interactions from side side. longest recovery time duration supposed be found Hyd@ZnF complex because largest strength highest conductance rate variation Hyd@NiF smallest energy gap. However, all models reasonable level formations electronic variations monitored approaching sensing or detecting function. In regard, suitable issues formation interacting Hyd@FeF, Hyd@NiF, complexes meaningful levels structural features.
Язык: Английский
Процитировано
14Applied Surface Science, Год журнала: 2025, Номер 703, С. 163427 - 163427
Опубликована: Май 3, 2025
Язык: Английский
Процитировано
0Опубликована: Янв. 1, 2025
Язык: Английский
Процитировано
0Diamond and Related Materials, Год журнала: 2023, Номер 141, С. 110683 - 110683
Опубликована: Ноя. 30, 2023
Язык: Английский
Процитировано
7New Journal of Chemistry, Год журнала: 2024, Номер 48(35), С. 15599 - 15609
Опубликована: Янв. 1, 2024
Schematic diagram of prospective targeted drug delivery approach for ifosfamide using nitride-based nanocage.
Язык: Английский
Процитировано
1Nanoscale Advances, Год журнала: 2024, Номер unknown
Опубликована: Янв. 1, 2024
Cancer is a paramount health challenge to global health, which forms tumors that can invade nearby tissues and spread neighboring cells. Recently, nanotechnology has been used control the growth of cancer, in anticancer drugs are delivered cancerous cells
Язык: Английский
Процитировано
1Chemical Physics Impact, Год журнала: 2023, Номер 7, С. 100365 - 100365
Опубликована: Ноя. 3, 2023
Sumanene-hydroxyurea (SUM-HYD) conjugations were assessed based on the density functional theory (DFT) computational assessments for proposing a novel drug design and delivery platform. The structural geometry optimizations electronic molecular orbital features evaluations done to assess investigated systems. results indicated existence of semi-cup-like structure SUM counterpart, in which in-side out-side surface participated interactions with HYD counterpart yield SHi SHo complexes SUM-HYD conjugation. analyzed models involving finally obtained configurations revealed better suitability conjugation comparison Additionally, lower hardness even singular substance. Furthermore, recognizable by sensing functions towards Assessing impacts water ethanol media Gibbs free energy stability both priority medium. As result, stabilized their benefits formations such conjugated systems approaching
Язык: Английский
Процитировано
2Computational and Theoretical Chemistry, Год журнала: 2024, Номер 1235, С. 114553 - 114553
Опубликована: Март 11, 2024
Язык: Английский
Процитировано
0The European Physical Journal Plus, Год журнала: 2024, Номер 139(3)
Опубликована: Март 16, 2024
Язык: Английский
Процитировано
0