Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Bernini, Maria Celeste | - |
| dc.creator | Fairen Jimenez, David | - |
| dc.creator | Pasinetti, Pedro Marcelo | - |
| dc.creator | Ramirez Pastor, Antonio Jose | - |
| dc.creator | Snurr, Randall Q. | - |
| dc.date | 2018-01-03T18:47:35Z | - |
| dc.date | 2018-01-03T18:47:35Z | - |
| dc.date | 2014-01 | - |
| dc.date | 2017-12-12T18:38:34Z | - |
| dc.date.accessioned | 2019-04-29T15:35:03Z | - |
| dc.date.available | 2019-04-29T15:35:03Z | - |
| dc.date.issued | 2018-01-03T18:47:35Z | - |
| dc.date.issued | 2018-01-03T18:47:35Z | - |
| dc.date.issued | 2014-01 | - |
| dc.date.issued | 2017-12-12T18:38:34Z | - |
| dc.identifier | Ramirez Pastor, Antonio Jose; Pasinetti, Pedro Marcelo; Bernini, Maria Celeste; Fairen Jimenez, David; Snurr, Randall Q.; Screening of Bio-Compatible Metal-Organic Frameworks as Potential Drug Carriers using Monte Carlo Simulations; Royal Society of Chemistry; Journal of Materials Chemistry B; 2; 7; 1-2014; 766-774 | - |
| dc.identifier | 2050-750X | - |
| dc.identifier | http://hdl.handle.net/11336/32161 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/297162 | - |
| dc.description | A series of bio-compatible metal–organic frameworks (MOFs) have been studied as potential carriers for drug delivery applications. Grand canonical Monte Carlo (GCMC) simulations were performed to study the adsorption of the model drug ibuprofen. Simulations were first validated with available experimental data for ibuprofen adsorption and release in MIL-53, MIL-100 and MIL-101. In the second stage, the study was extended to three additional MOFs with interesting properties in terms of bio-compatibility and porosity: CDMOF-1, based on edible precursors; MOF-74 containing a highly biocompatible metal (Mg); and BioMOF-100, a mesoporous MOF with extremely high pore volume. By comparing with experimental data, we show how GCMC simulation is able to predict the macroscopic performance of new porous MOFs in drug delivery applications, providing useful molecular-level insights and giving thermodynamic and structural details of the process. Adsorption isotherms, snapshots, energy of adsorption and radial distribution functions were used to analyse the drug delivery process. | - |
| dc.description | Fil: Bernini, Maria Celeste. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina. Northwestern University; Estados Unidos | - |
| dc.description | Fil: Fairen Jimenez, David. Northwestern University; Estados Unidos. University of Cambridge; Reino Unido | - |
| dc.description | Fil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina | - |
| dc.description | Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina | - |
| dc.description | Fil: Snurr, Randall Q.. Northwestern University; Estados Unidos | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Royal Society of Chemistry | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/C3TB21328E | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2014/tb/c3tb21328e | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.subject | Adsorption | - |
| dc.subject | Biocompatibility | - |
| dc.subject | Computer simulation | - |
| dc.subject | Drug delivery | - |
| dc.subject | Otras Ciencias Químicas | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Screening of Bio-Compatible Metal-Organic Frameworks as Potential Drug Carriers using Monte Carlo Simulations | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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