@misc{10481/75842, year = {2022}, month = {6}, url = {http://hdl.handle.net/10481/75842}, abstract = {Organophosphate nerve agents and pesticides are extremely toxic compounds because they result in acetylcholinesterase (AChE) inhibition and concomitant nerve system damage. Herein, we report the synthesis, structural characterization, and proof-of-concept utility of zirconium metal−organic polyhedra (Zr-MOPs) for organophosphate poisoning treatment. The results show the formation of robust tetrahedral cages [((n-butylCpZr)3(OH)3O)4L6]Cl6 (Zr-MOP-1; L = benzene-1,4- dicarboxylate, n-butylCp = n-butylcyclopentadienyl, Zr-MOP-10, and L = 4,4′-biphenyldicarboxylate) decorated with lipophilic alkyl residues and possessing accessible cavities of ∼9.8 and ∼10.7 Å inner diameters, respectively. These systems are able to both capture the organophosphate model compound diisopropylfluorophosphate (DIFP) and host and release the AChE reactivator drug pralidoxime (2-PAM). The resulting 2-PAM@ Zr-MOP-1(0) host−guest assemblies feature a sustained delivery of 2-PAM under simulated biological conditions, with a concomitant reactivation of DIFP-inhibited AChE. Finally, 2-PAM@Zr-MOP systems have been incorporated into biocompatible phosphatidylcholine liposomes with the resulting assemblies being non-neurotoxic, as proven using neuroblastoma cell viability assays.}, organization = {Spanish MCIN/AEI PID2020-113608RB-I00}, organization = {FEDER/Junta de Andalucia-Conserjeria de Economia y Conocimiento B-FQM-364-UGR18 B-FQM-006-UGR18}, organization = {FEDER/Junta de Andalucia-Consejeria de Transformacion Economica, Industria, Conocimiento y Universidades P18-RT-612 P20_00672}, organization = {Fondazione CRUI}, organization = {programa Juan de la Cierva Formacion}, organization = {Spanish Government PID2020-118117RB-I00}, organization = {Center for Forestry Research & Experimentation (CIEF)}, organization = {European Commission SEJIGENT/2021/059 PROMETEU/2021/054}, organization = {La Caixa Foundation 100010434 LCF/BQ/PR20/11770014}, organization = {"Maria de Maeztu" Program for Centers of Excellence in RD CEX2019-000919-M}, organization = {H2020-MSCA-IF2019-888972-PSust-MOF}, publisher = {American Chemical Society}, keywords = {Nerve agents}, keywords = {Host-guest chemistry}, keywords = {Pesticide}, keywords = {Controlled drug delivery}, keywords = {Metal-organic cages}, title = {Zirconium Metal−Organic Polyhedra with Dual Behavior for Organophosphate Poisoning Treatment}, doi = {10.1021/acsami.2c06025}, author = {Delgado López, Pedro José and Martín Romera, Javier David and Perona, Cristina and Vismara, Rebecca and Rodríguez Maldonado, Carmen and Carmona Fernández, Francisco Jesús and Rodríguez Navarro, Jorge Andrés}, }