Saadh, M. J.Hsu, C. Y.Mahmud, S. F.Mumtaz, H.Mohammed, S. K.Bahair, H.Aday, K.2025-03-172025-03-1720242210-271X1872-7999https://doi.org/10.1016/j.comptc.2024.114553https://hdl.handle.net/20.500.13099/2209Assessing a facile detection platform of kidney failure through the creatinine biomarker adsorption by a zincdoped nanocone (ZnCone) was done in this work along with density functional theory (DFT) calculations. The singular models and bimolecular complexes were optimized by assigning the creatinine adsorbate and the ZnCone adsorbent. The Zn-doped atom managed the involving interactions with a reasonable strength of adsorption for the complex formations. Electronic molecular orbital features indicated them suitable for being detectable regarding the variations of electronic specifications. In the case of approaching recovery time and conductance rate, counteracts of complexes were strong enough to be attached to each other and the electronic variations were detectable. Finally, by the formation of strong complexes and the measurement of electronic features, the assessment of ZnCone revealed possibility of a successful platform for approaching the adsorption of creatinine biomarker regarding a facile detection of the kindly failure.eninfo:eu-repo/semantics/closedAccessAdsorptionCreatinineDFTInteractionNanoconeArticle10.1016/j.comptc.2024.1145531235Q3WOS:0012114926000012-s2.0-85187993063Q2