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Updated: Jul 9, 2025
Synthesis and Characterization of Functionalized Metal-organic Frameworks
Published on: September 5, 2014
How hydrogen bonding and π-π interactions synergistically facilitate mephedrone adsorption by bio-sorbent: An
Shurui Cao1, Rong Zhu2, Duanhao Wu3
1Forensic Identification Center, Southwest University of Political Science and Law, Chongqing, 401120, China; Criminal Investigation Law School, Southwest University of Political Science and Law, Chongqing, 401120, China.
Abstract:
Mephedrone (4-methylmethcathinone, MEPH) exhibited severe ecologic hazards and health detriments. A novel deep eutectic solvent functionalized magnetic ZIF-8/hierarchical porous carbon (DMZH) with excellent selectivity, interference resistance and recyclability, was developed for the rapid adsorption of MEPH. Initially, potential adsorption sites of MEPH were predicted. Then, π-π and hydrogen bonding interactions were proposed and verified from characterizations, comparative experiments and theoretical calculations. The synergistic effects of the hydrogen bonding and π-π interactions increased the adsorption energies from -15.26 kcal⋅mol-1 to -21.83 kcal⋅mol-1, enhanced the degree of π-dissociation, enlarged the π-π isosurface area, extended the van der Waals surface mutual penetration distance, achieving stronger affinity and remarkable adsorption. Furthermore, offset (parallel-displaced) π-π stacking form existed between DMZH and MEPH. DMZH acted as the hydrogen bond donor and MEPH served as the hydrogen bond acceptor to form O-H⋯O and N-H⋯O hydrogen bonding interaction. Profiting from the synergistic effects, DMZH showed satisfactory adsorption for MEPH within 20 min with a maximum adsorption capacity of 3270.11 μg∙g-1, displayed excellent performance in wide pH range of 5∼11 and in the coexistence of multi-chemicals.
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