Matches in SemOpenAlex for { <https://semopenalex.org/work/W4385605861> ?p ?o ?g. }
- W4385605861 endingPage "104828" @default.
- W4385605861 startingPage "104828" @default.
- W4385605861 abstract "In the present study, the targeted drug-carrying and detecting properties of the carmustine anticancer drug by pure B3O3 sheet have been explored with the help of periodic density functional theory. The results reveal that the drug-loaded on a pure B3O3 sheet has reduced the band gap by about the 28–32%; thus, it can detect the drug well. The band structure and density of states fully support the reduction in the band gap. Hirshfeld charge analysis confirms the charge transfer from the carmustine anticancer drug towards the sheet. In the most stable configuration, adsorption energy values in the gas and water phases for the drug-loaded on the B3O3 sheet are −1.09 and −0.58 eV, respectively. The parallel position is the most stable interaction between the drug and the surface. In the absence of radiation, the calculated recovery time at 306 K (normal cell temperature) and 310 K (brain tumor tissue temperature) are 3.7 × 10−3 and 2.8 × 10−3 s, respectively. According to the analyzes done by using the molecular dynamics (NVT module) at 310 K temperature, after being adsorbed carmustine anticancer drug on the pristine B3O3 substrate, the drug is released from the nanocarrier in the adjacency of tumor cells, and the therapeutic operation is carried out on the target cells." @default.
- W4385605861 created "2023-08-06" @default.
- W4385605861 creator A5017469485 @default.
- W4385605861 creator A5023874770 @default.
- W4385605861 date "2023-09-01" @default.
- W4385605861 modified "2023-09-27" @default.
- W4385605861 title "In silico study of B3O3 nanosheet as a disposable platform for sensing and delivery of carmustine anticancer drug" @default.
- W4385605861 cites W1965752441 @default.
- W4385605861 cites W1966750682 @default.
- W4385605861 cites W1966772843 @default.
- W4385605861 cites W1978235057 @default.
- W4385605861 cites W2003086495 @default.
- W4385605861 cites W2022605033 @default.
- W4385605861 cites W2044591029 @default.
- W4385605861 cites W2055563809 @default.
- W4385605861 cites W2073328513 @default.
- W4385605861 cites W2073541700 @default.
- W4385605861 cites W2078086786 @default.
- W4385605861 cites W2092244272 @default.
- W4385605861 cites W2103667632 @default.
- W4385605861 cites W2281496323 @default.
- W4385605861 cites W2320668895 @default.
- W4385605861 cites W2571068011 @default.
- W4385605861 cites W2612210663 @default.
- W4385605861 cites W2620635433 @default.
- W4385605861 cites W2739816760 @default.
- W4385605861 cites W2751513280 @default.
- W4385605861 cites W2766973155 @default.
- W4385605861 cites W2782652713 @default.
- W4385605861 cites W2788877707 @default.
- W4385605861 cites W2791243183 @default.
- W4385605861 cites W2792408634 @default.
- W4385605861 cites W2792891250 @default.
- W4385605861 cites W2803394943 @default.
- W4385605861 cites W2894011227 @default.
- W4385605861 cites W2903958227 @default.
- W4385605861 cites W2907974104 @default.
- W4385605861 cites W2912408318 @default.
- W4385605861 cites W2918801709 @default.
- W4385605861 cites W2922413642 @default.
- W4385605861 cites W2963619378 @default.
- W4385605861 cites W2966735923 @default.
- W4385605861 cites W2980504570 @default.
- W4385605861 cites W2989620273 @default.
- W4385605861 cites W2999634591 @default.
- W4385605861 cites W3023438570 @default.
- W4385605861 cites W3027729592 @default.
- W4385605861 cites W3034278985 @default.
- W4385605861 cites W3036723969 @default.
- W4385605861 cites W3048651856 @default.
- W4385605861 cites W3057446086 @default.
- W4385605861 cites W3092677681 @default.
- W4385605861 cites W3107679048 @default.
- W4385605861 cites W3120821089 @default.
- W4385605861 cites W3158030502 @default.
- W4385605861 cites W3177285058 @default.
- W4385605861 cites W3180881279 @default.
- W4385605861 cites W3191147761 @default.
- W4385605861 cites W3193655348 @default.
- W4385605861 cites W3194479190 @default.
- W4385605861 cites W3199087322 @default.
- W4385605861 cites W3199291541 @default.
- W4385605861 cites W3200642357 @default.
- W4385605861 cites W3204204564 @default.
- W4385605861 cites W3209167144 @default.
- W4385605861 cites W3210695079 @default.
- W4385605861 cites W3212509142 @default.
- W4385605861 cites W3213491994 @default.
- W4385605861 cites W3215455814 @default.
- W4385605861 cites W4200302834 @default.
- W4385605861 cites W4205385061 @default.
- W4385605861 cites W4206458292 @default.
- W4385605861 cites W4210662130 @default.
- W4385605861 cites W4214672147 @default.
- W4385605861 cites W4214944049 @default.
- W4385605861 cites W4224238052 @default.
- W4385605861 cites W4229071779 @default.
- W4385605861 cites W4285588834 @default.
- W4385605861 cites W4288074570 @default.
- W4385605861 cites W4288520683 @default.
- W4385605861 cites W4292158699 @default.
- W4385605861 cites W4302362874 @default.
- W4385605861 cites W4307262104 @default.
- W4385605861 cites W4309482922 @default.
- W4385605861 cites W4310855924 @default.
- W4385605861 cites W4311459693 @default.
- W4385605861 cites W4363678489 @default.
- W4385605861 cites W4382937497 @default.
- W4385605861 doi "https://doi.org/10.1016/j.jddst.2023.104828" @default.
- W4385605861 hasPublicationYear "2023" @default.
- W4385605861 type Work @default.
- W4385605861 citedByCount "0" @default.
- W4385605861 crossrefType "journal-article" @default.
- W4385605861 hasAuthorship W4385605861A5017469485 @default.
- W4385605861 hasAuthorship W4385605861A5023874770 @default.
- W4385605861 hasConcept C141071460 @default.
- W4385605861 hasConcept C171250308 @default.
- W4385605861 hasConcept C18150654 @default.