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The authors are grateful to generous funding from Spanish MINECO (CTQ2014-53486-R; CTQ2015-70724-R), EU Feder funding, and the Joint Science and Technology Office for Chemical Biological Defense (JSTO-CBD) under project BA13PHM210.

Analysis of institutional authors

Gil-San-Millan, RodrigoAuthor

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Article

Chemical Warfare Agents Detoxification Properties of Zirconium Metal-Organic Frameworks by Synergistic Incorporation of Nucleophilic and Basic Sites

Publicated to:ACS Applied Materials & Interfaces. 9 (28): 23967-23973 - 2017-07-19 9(28), DOI: 10.1021/acsami.7b06341

Authors: Gil-San-Millan, Rodrigo; Lopez-Maya, Elena; Hall, Morgan; Padial, Natalia M.; Peterson, Gregory W.; DeCoste, Jared B.; Marleny Rodriguez-Albelo, L.; Enrique Oltra, J.; Barea, Elisa; Navarro, Jorge A. R.;

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Abstract

The development of protective self-detoxifying materials is an important societal challenge to counteract risk of attacks employing highly toxic chemical warfare agents (CWAs). In this work, we have developed bifunctional zirconium metal organic frameworks (MOFs) incorporating variable amounts of nucleophilic amino residues by means of formation of the mixed ligand [Zr6O4(OH)(4)(bdc)(6(1-x))(bdc-NH2)(6x)] (UiO-66-xNH(2)) and [Zr6O4(OH)(4)(bpdc)(6(1-x))(bpdc-(NH2)(2))(6x)] (UiIO67-x(NH2)(2)) systems where bdc = benzene-1,4-dicarboxylate; bdcNH2= benzene-2-amino-1,4-dicarboxylate; bpdc = 4,4'-biphenyldicarboxylate; bpdc-(NH2)(2) = 2,2'-diamino-4,4'-biphenyldicarboxylate and x = 0, 0.25, 0.S, 0.75, 1. In a second step, the UiO-66-xNH(2) and UiO-67x(NH2)(2) systems have been postsynthetically modified by introduction of highly basic lithium tert-butoxide (LiO1Bu) on the oxohydroxometallic dusters of the mixed ligand MOFs to yield UiO-66-xNH(2)@ LiOtBu and UiO-67-x(NH2)(2)@LiOtBu materials. The results show that the combination of pre and postsynthetic modifications on these MOF series gives rise to fine-tuning of the catalytic activity toward the hydrolytic degradation of both simulants and real CWAs in unbuffered aqueous solutions. Indeed, UiO-66-0.25NH(2)@LiO Bu is able to hydrolyze both CWAs simulants (diisopropylfluorophosphate (DIFP), 2-chloroethylethylsulfide (CEES), and real CWAs (soman (GD), sulfur mustard (HD)) quickly in aqueous solution. These results are related to a suitable combination of robustness, nucleophilicity, basicity, and accessibility to the porous framework.

Keywords

adsorptioncatalysisdegradationhydrolysisnerve agentsphosphotriesteraseporous coordination frameworksAdsorptionCatalysisDegradationHydrolysisModulationNerve agentsPhosphotriesterasePorous coordination frameworksSimulantsStabilityToxic gasesUio-66

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal ACS Applied Materials & Interfaces due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2017, it was in position 26/285, thus managing to position itself as a Q1 (Primer Cuartil), in the category Materials Science, Multidisciplinary. Notably, the journal is positioned above the 90th percentile.

From a relative perspective, and based on the normalized impact indicator calculated from World Citations provided by WoS (ESI, Clarivate), it yields a value for the citation normalization relative to the expected citation rate of: 2.84. This indicates that, compared to works in the same discipline and in the same year of publication, it ranks as a work cited above average. (source consulted: ESI Nov 14, 2024)

This information is reinforced by other indicators of the same type, which, although dynamic over time and dependent on the set of average global citations at the time of their calculation, consistently position the work at some point among the top 50% most cited in its field:

  • Weighted Average of Normalized Impact by the Scopus agency: 8.44 (source consulted: FECYT Feb 2024)
  • Field Citation Ratio (FCR) from Dimensions: 14.65 (source consulted: Dimensions Jun 2025)

Specifically, and according to different indexing agencies, this work has accumulated citations as of 2025-06-09, the following number of citations:

  • WoS: 92
  • Scopus: 114
  • OpenCitations: 108

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-06-09:

  • The use, from an academic perspective evidenced by the Altmetric agency indicator referring to aggregations made by the personal bibliographic manager Mendeley, gives us a total of: 95.
  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 94 (PlumX).

With a more dissemination-oriented intent and targeting more general audiences, we can observe other more global scores such as:

  • The Total Score from Altmetric: 3.

Leadership analysis of institutional authors

This work has been carried out with international collaboration, specifically with researchers from: United States of America.

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (GIL SAN MILLAN, RODRIGO) .