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Effective Degradation of Novichok Nerve Agents by the Zirconium

Metal−Organic Framework MOF-808
Martijn C. de Koning,*,§ Carla Vieira Soares,§ Marco van Grol, Rowdy P. T. Bross,
and Guillaume Maurin*
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ABSTRACT: Novichoks are a novel class of nerve agents (also referred to as

the A-series) that were employed in several poisonings over the last few years.
This calls for the development of novel countermeasures that can be applied
in protective concepts (e.g., protective clothing) or in decontamination
methods. The Zr metal−organic framework MOF-808 has recently emerged
as a promising catalyst in the hydrolysis of the V- and G-series of nerve agents
as well as their simulants. In this paper, we report a detailed study of the
degradation of three Novichok agents by MOF-808 in buffers with varying
pH. MOF-808 is revealed to be a highly efficient and regenerable catalyst for
Novichok agent hydrolysis under basic conditions. In contrast to the V- and
G-series of agents, degradation of Novichoks is demonstrated to proceed in
two consecutive hydrolysis steps. Initial extremely rapid P−F bond breaking is followed by MOF-catalyzed removal of the amidine
group from the intermediate product. The intermediate thus acted as a competitive substrate that was rate-determining for the whole
two-step degradation route. Under acidic conditions, the amidine group in Novichok A-230 is more rapidly hydrolyzed than the P−
F bond, giving rise to another moderately toxic intermediate. This intermediate could in turn be efficiently hydrolyzed by MOF-808
under basic conditions. These experimental observations were corroborated by density functional theory calculations to shed light on
molecular mechanisms.
KEYWORDS: Novichoks, MOF-808, DFT, two-step hydrolysis mechanism, degradation

■ INTRODUCTION
Novichok is a subclass of organophosphorus (OP) nerve
member states of the Chemical Weapons Convention (CWC)
to amend for the first time since its ratification in 1997, the
agents, also referred to as the A-series of nerve agents, with a Schedule 1 chemicals list with new agents, including those of
the Novichok series.14
structure similar to the well-described G-series (e.g., sarin,
This motivated further investigations of the chemical and
soman, and tabun) and V-series of nerve agents (e.g., VX and
biological aspects of Novichok agents. Since the first confirmed
VR). These agents are extremely poisonous and exert their
Novichok attack in 2018, a number of reports were edited
toxicity through covalent inhibition of the enzyme acetylcho-
summarizing information on Novichok compounds (almost
linesterase, thereby arresting the hydrolysis of the neuro-
exclusively theoretical data) including possible molecular
transmitter acetylcholine (AChE) in the synapses. This results
structures, physico-chemical, spectroscopic, and toxicological
in overstimulation of AChE receptors and the development of
properties and probable degradation pathways;4,5,15−26 how-
severe clinical signs, for example, convulsions, seizures,
ever, experimental data remain very scarce.27−29 Herein, we
respiratory distress, brain damage, and death.1,2 Although a
unravel for the first time the potential of metal−organic
range of molecular structures belonging to this new class of
frameworks (MOFs) for the catalytic destruction of Novichok
nerve agents have been proposed,3 these structures remained
agents28 (Figure 1). MOFs are highly porous coordination
unverified because of the unavailability of authentic samples
networks built by the assembly of metal ions or clusters with
and the absence of experimental data.4,5 In 2018, an incident
polytopic organic linkers. Over the last decade, MOFs built
occurred in the United Kingdom with a nerve agent that was
later identified as a member of the Novichok family.6,7 In 2020,
another incident involving a Novichok agent occurred in Received: December 15, 2021
Russia.8−10 These events, as well as the use of members of the Accepted: January 26, 2022
G- and V-series of nerve agents in recent history, for example, Published: February 9, 2022
sarin gas use in Syria (2013)11,12 and the use of VX in Malaysia
in 2017,13 illustrate that this type of agents constitute a real
threat to society. The recent Novichok incidents led the 193

© 2022 American Chemical Society https://doi.org/10.1021/acsami.1c24295

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ACS Applied Materials & Interfaces
Figure 1. Molecular structures of the Novichok agents and a
structural representation of MOF-808, showing the Zr6-polyhedra in
blue, linkers in gray (hydrogen atoms omitted), and oxygen and
hydrogen atoms in red and white, respectively.
from the Zr6(μ3-O)4(μ3-OH)4 cluster have emerged as
promising catalysts for the hydrolysis of OP nerve agents
from both the G- and V-series and their simulants30−40 and the
influence of MOF topology (connectivity),40 crystal size,41
pore size,42,43 linker substitution,32,36,44−46 cluster modifica-
tion,46−51 and solvent37,52 on catalytic activity has been
intensively investigated. Among the exhaustive list of Zr-
MOFs, MOF-808 is one of the most effective Zr-MOF
catalysts reported to date for the hydrolysis of a wide range of
Figure 2. Degradation profiles of A-230 at pH = 10 using 6.0 mol % MOF-808 (A) and varying the amount of MOF-808 (B). (C) Regeneration of
the catalyst using 0.2 mol % MOF-808.
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OP agents,37,53−55 with recorded half-lives below 1 min for
several real nerve agents and their simulants. MOF-808, built
from tritopic benzene-1,3,5-tricarboxylate (BTC),56 adopts an
spn topology in which 6 of the 12 available coordination sites
on the Zr6-cluster coordinate with 6 BTC linkers (Figure 1),
resulting in a 3D architecture that exhibits 18 Å hexagonal
channels providing sufficient space to accommodate nerve
agent molecules.43 Interestingly, removal of the terminal
formate groups linked to six Zr sites on each cluster results
in an activated form of MOF-808 encompassing exchangeable
hydroxyl- or water ligands (Zr−OH/Zr−OH2) that can act as
Lewis acidic catalytic sites for nerve agent hydrolysis.54,57−59
In this pioneer work, we probed the MOF-808-mediated
hydrolysis of Novichok compounds A-230, A-232, and A-234
(Figure 1) in buffers with varying pH. We demonstrate a rapid
[turnover frequency (TOF) up to 55 min−1] and complete
degradation of Novichok agents via an unusual two-step
hydrolytic pathway. Kinetic models were applied to assess the
catalytic reaction rates. A combination of advanced character-
ization tools, for example, nuclear magnetic resonance (NMR)
spectroscopy and high-resolution mass spectrometry (HR-
MS), enabled the identification of the degradation products as
well as the exploration of the regeneration of the catalyst. We
revealed that although the catalyst activity suffers from product
inhibition, its activity can be fully restored using a simple
washing step. These experimental findings were further
supported by quantum-calculations at the density functional
theory (DFT) level to shed light on the molecular mechanism
in play.
■ RESULTS AND DISCUSSION
Initial Novichok degradation experiments were conducted
using a commonly employed protocol37,42,60,61 involving the
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Table 1. Rate Constants, Half-Lives, and TOFs Determined for the MOF-808-Catalyzed Degradation of Novichok Agents
under Various Conditions
pH/agent MOF-808 (mol %) kobs (× 10−2 min−1)a half-life (min) r2 TOF (min−1)c
pH = 10
A-230 6.0 735 ± 47 0.094 >0.99 122
A-230 1.0 42 ± 3.6 1.7 >0.99 42
A-230 0.5 27 ± 1.5 2.6 >0.99 54
A-230 0.2 11 ± 1 6.4 >0.95 55
A-232 6.0 167 ± 13 0.42 >0.99 28
A-234 6.0 9.5 ± 1.2 7.3 >0.99 1.6
A-234 18 38 ± 4 1.8 >0.98 2.1
pH = 4.5
A-230 → 1c (no MOF) N.A. 0.51 ± 0.02b 14 × 101 >0.99 N.A.
A-230 → 1a (no MOF) N.A. 0.086 ± 0.006b 81 × 101 >0.99 N.A.
a
kobs = kfast of the two-phase exponential decay curve fit in Graphpad Prism 8.0.1., see the Supporting Information for details. bA parallel
exponential decay curve fit was used to obtain these values, see the Supporting Information for details. cTOF was calculated44,52 by dividing the
initial rate (= kfast × [Agent]0 in mM/min) by the catalyst loading (= mol % MOF × [Agent]0 in mM), with [Agent]0 = initial agent concentration
(25 mM in all cases). N.A. = Not Applicable.

addition of 6.0 mol % MOF-808 (particle size: 650 nm) in a
solution of an agent (25 mM) in ethylmorpholine buffer
(NEM, 0.4 M) at pH = 10. The degradation progress was
monitored by consecutive 31P NMR measurements. The
results obtained with A-230 are shown in Figure 2A.
While A-230 was stable in NEM buffer pH = 10 for at least
60 min, the addition of MOF-808 (6 mol %) resulted in a rapid
degradation of A-230 to about 75% completion within 1 min
(Figure 2A). Another 15 min was required to reach full
conversion. This effect could not be ascribed to a pH change,
which remained the same throughout the experiment. Rather,
this behavior can be explained by a rapid initial hydrolysis of
the P−F bond in A-230, giving rise to the formation of
hydrolysis product 1a and a subsequent catalytic conversion of
1a into methylphosphonic acid (1b) through the catalyzed loss
of the amidine moiety. Thus, once 1a reaches a sufficiently
high concentration, it is expected to compete with the
remaining A-230 for catalytic sites in MOF-808, resulting in
slower conversion of A-230. NMR analysis of a sample,
obtained after removal of the MOF by filtration at an early
time-point, confirmed that hydrolysis of A-230 as well as of 1a
was MOF-catalyzed as both compounds remained stable for at
least 60 min after the MOF removal (Figure S5). The
attenuation of A-230 hydrolysis by 1a is reminiscent of the
commonly observed inhibition of the catalytic activity of OP
degrading MOFs, which was attributed to the occupancy of the
catalytic sites by the anionic hydrolysis product.37,42,62−64 This
phenomenon leads to a progressive deviation from the
expected first-order hydrolysis kinetics model with increasing
substrate conversion, and therefore initial rates are often
reported. Liao et al. recently described62 a comprehensive
methodology to more accurately determine the reaction rate
constant of the MOF-catalyzed conversion of the nerve agent
simulant 4-nitrophenyl dimethylphosphate (DMNP) into
dimethylphosphate (DMP) by NU-1000 and MOF-808, by
implementing the separately determined inhibition constant of
DMP onto the catalyst in the kinetic model. However, in the
current situation, the pre-determination of the binding/affinity
constant of the initial product (1a) is problematic as 1a is, in
contrast to DMNP, in turn consumed. We therefore used a
biphasic exponential decay kinetic model to approximate the
rate constants, assuming that the first (fast) phase is
representative of the initial rapid degradation of A-230 by
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MOF-808, while the second (slow) phase represents the
hydrolysis rate of A-230 in competition with 1a. We applied
the same method to the experimental data obtained with lower
amounts of MOF (i.e., 1.0, 0.5, and 0.2 mol %, see Figure 2B).
The turning point between the fast phase and the slow phase
was consistently found at 70 ± 2% conversion of A-230, which
in all cases coincided with the time at which the highest
concentration of 1a (50−60%, see Figure S6) was measured.
This supports the assumption that competition between 1a
and A-230 was the major cause of the biphasic degradation
behavior, although an additional effect of 1b cannot be ruled
out, vide infra. The fast phase rate constants and corresponding
half-lives are provided in Table 1. The calculation of the TOF
of MOF-808 was accomplished by dividing the initial
degradation rate (in mM/min) by the catalyst concentration
(in mM) to provide for a more ready comparison of the
catalytic activity under varying conditions. For the degradation
of A-230 at pH 10, the TOF values were 55, 54, and 42 min−1
for the 0.2, 0.5, and 1.0 mol % reactions, respectively. The
rather high TOF obtained for the 6 mol % reaction (122
min−1) was ascribed to the extremely fast reaction rate at early
time-points. In these cases, the short time needed for filtration,
albeit only seconds was not included in the time-point
determination, leading to an overestimation of the reaction
rate.
Next, the performance of the catalyst was investigated in
more detail. Thus, a fresh amount of A-230, equivalent to
another 25 mM, was added to the mixture obtained 90 min
after reacting 0.2 mol % MOF with A-230 in a pH = 10 buffer.
Figure 2C (black curve) shows that the freshly added A-230
was degraded significantly slower, which may be attributed to
MOF degradation over time or occupation of catalytic sites by
1b (catalyst poisoning/inhibition). Remarkably, the catalytic
activity of MOF-808 is fully restored by a single wash of the
MOF with fresh buffer, after its isolation by centrifugation, as
shown in Figure 2C (blue curve), suggesting that 1b (being the
major component present after degradation of A-230 and 1a)
is also capable of catalyst inhibition. Nevertheless, the
complete regeneration of catalyst activity demonstrates its
robustness in the degradation of A-230 and confirms the
reversible nature of catalyst inhibition.
We then explored the degradation of A-232 and A-234
(Figure 3A,B, respectively) employing the same method (6
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Figure 3. Degradation profiles of (A) A-232 with 6 mol % MOF-808; (B) A-234 with 6 and 18 mol % MOF-808 both at pH = 10.

Figure 4. (A) Degradation profiles of A-230 at pH = 4.5 in the presence (A) and in the absence (B) of 6 mol % MOF-808. (C) Demonstration of
catalyzed degradation of both 1a and 1c at pH = 10 by MOF-808 (6 mol % with respect to the total phosphorus content).

mol % catalyst in pH = 10 buffer). The reactions proceeded
according to the same molecular conversions as found with A-
230. The reaction with A-232 showed a rapid onset of
conversion (47% in 1 min) but then required another 27 min
to reach completion. A-234 degradation only reached 65%
conversion within 60 min. Even after increasing the MOF
amount to 18 mol %, more than 60 min were required to reach
near complete degradation of A-234 (Figure 3B, 18 mol %
curve). Similarly, conversion of the respective initial products
2a and 3a into the corresponding phosphonic acids 2b and 3b
was slower (<10% of 2b and <5% of 3b after 60 min with the 6
mol % catalyst). The TOF of A-230 was approximately 1.7
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times higher than that of A-232, which can be explained by a
reactivity difference as a result of the change of the P−Me
group in A-230 into a deactivating P−OMe group in A-232.
The effect of a single methylene group difference between the
structures of A-232 (P−OMe) and A-234 (P−OEt) on the
degradation rates of these molecules was remarkable (the TOF
of A-232 was approximately 10 times higher than the TOF of
A-234).
We next probed the influence of pH on the conversion rates
by executing the same reactions in aqueous buffers at pH = 7
and pH = 4.5. These pH values were chosen in between the
pKa values previously determined65 for the Zr-μ3-OH (3.64),
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Figure 5. Illustration of the hydrolysis degradation mechanism of A-230 by MOF-808(Zr). (a) Simulated MEP, (b) reactant (MOF-808 + A-230),
(c) transition state (TS), and (d) product (MOF-808-1a + HF). The most representative separating distances between the molecule and the
inorganic node of MOF-808 involved in the degradation process, F−H(OH) (blue) and P−O(OH) (red), are represented and expressed in Å.
Zr−OH2 (6.22), and Zr−OH (8.23) protons to probe the
reactivity of MOF-808 with different proton topologies.
Previous reports showed that Zr MOFs (including MOF-
808) can be effective catalysts at a pH significantly lower than
10, which was attributed to the presence of a higher fraction of
Zr−OH2 species in the MOF.37,52 Hydrolysis experiments at
pH = 4.5 are not commonly executed because the low OH−
concentration associated with this pH is expected to give less
effective hydrolysis and/or regeneration of the catalyst, but we
reasoned that the unique amidine feature in the Novichok
compounds may be protonated and encouraged to act as a
leaving group at a lower pH. The predicted pKa of the amidine
group in A-230 is 8.0 and 7.1 for both the amidine groups in
A-232 and A-234.66
At pH = 7, the same conversions and similar reactivity
difference trends between the agents were observed as at pH =
10, but overall, the reactions were much slower. Thus, the
addition of 6 mol % MOF-808 at pH = 7 gave 36 and 17%
conversion of A-230 and A-232, respectively, after 60 min
(Figure S7), while A-234 degradation was very slow under
these conditions (<5% after 60 min). Compound 1a was barely
converted into 1b (<3% presence after 60 min) and the
formation of 2b was not detected. This result is in sharp
contrast with previous findings that showed the rapid
conversion of the nerve agent VX or the nerve agent simulant
DMNP by Zr-MOFs at pH 7,67 indicating that for the efficient
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hydrolysis of the Novichoks A-230, A-232, and A-234 with
MOF-808, a higher pH is required compared to the hydrolysis
of VX and DMNP by the same MOF.
The results of the reactions at pH = 4.5 are provided in
Figure 4. A-232 and A-234 were not degraded in the absence
or presence of MOF-808 (6 mol %) at pH = 4.5 (Figure S8).
In the presence of the MOF, the more reactive A-230
degraded slowly but completely within 16 h, giving a mixture
of 1a (20%), 1b (6%), and compound 1c (74%) as shown in
Figure 4A. The latter compound, resulting from P−N
hydrolysis in A-230, was not detected at a higher pH. The
reaction in the absence of MOF-808 led to the same
degradation rate of A-230, and after complete consumption
(16 h), a mixture was formed of 1a (12%) and 1c (88%), as
illustrated in Figure 4B. Compound 1b was not detected.
Apparently, the presence of MOF-808 did not significantly
accelerate A-230 degradation, but it was not completely
inactive, judging from the difference in ratio of products in
Figure 4A,B and the formation of 1b in the presence of MOF.
The rate constants for the spontaneous hydrolysis reactions
(A-230 → 1a and A-230 → 1c, in the absence of MOF) were
determined by fitting a parallel reactions kinetic model (Table
1).
Finally, we aimed to assess whether MOF-808 can convert
1c into 1b at pH = 10. The relevance of this experiment was
prompted by the 2 orders of magnitude higher toxicity of 1c
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Figure 6. Illustration of the hydrolysis degradation mechanism of 1a by MOF-808(Zr). (a) Simulated MEP, (b) reactant (MOF-808 + 1a), (c)
transition state (TS), and (d) product (MOF-808-1b + C6H14N2). The main representative separating distances between the molecule and the
inorganic node of MOF-808 involved in the degradation process, P−N (dark blue) and P−O(H2O) (red), are represented and expressed in Å.
[LD50 77.59 mg/kg (mice)]68 compared to 1b [LD50 > 5000
mg/kg (rat)].69 Thus, a fresh mixture of 1a/1c (13:87 mol/
mol) was obtained by subjecting A-230 to a pH = 4.5 buffer
for at least 18 h. Next, the pH was adjusted to 10, and the
solution was split into two portions. MOF-808 was added to
one of the portions, and both solutions were monitored using
31
P NMR for another 7 h (Figure 4C). In the absence of MOF-
808, 1a and 1c were stable at pH = 10 for at least 7 h,70 while
both 1a and 1c were converted into 1b in the presence of
MOF-808, confirming the capability of MOF-808 to catalyze
the conversion of 1a into 1b and emphasizing the ability of
MOF-808 to catalyze the hydrolysis of 1c (→ 1b) as well.
DFT calculations were further performed for A-230 and A-
232 to shed light on the catalytic degradation mechanism of
Novichok compounds. The first degradation step corresponds
to the hydrolysis of the P−F bond in A-230 induced by the
nucleophilic addition of the −OH group to the P atom, as
illustrated in Figure 5, which reports the minimum energy path
(MEP), the snapshots of the reactant, the transition state, and
the product for the corresponding reaction. Figure 5B shows
the initial binding of A-230 via its PO function to an
uncoordinated Zr-site generated by the displacement of a
terminal water molecule. At the transition state, the molecule
approaches the −OH moiety, with F−H(OH) and P−O(OH)
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distances of 2.1 and 2.2 Å, respectively (Figure 5C). The
hydrolysis reaction further proceeds with the nucleophilic
attack on A-230, resulting in fluoride elimination, where the
hydrolysis product 1a binds in a bidentate fashion to the
inorganic node (Figure 5D). The resulting MEP, reported in
Figure 5A, implies an activation energy barrier of 109.7 kJ
mol−1. This value is within the same order of magnitude as the
free energy barriers previously reported for the hydrolysis of
sarin using MOF-808(Zr) (79.1 kJ mol−1), NU-1000(Zr)
(75.3 kJ mol−1), and UiO-66(Zr) (71.5 kJ mol−1).71 Since
these Zr-MOFs were previously demonstrated to be effective
for the degradation of sarin,37 the similarity obtained in terms
of the predicted energy barrier supports the fact that MOF-808
is responsible of the degradation of Novichok observed
experimentally. In addition, the lowest energy obtained for
the product (−74.5 kJ mol−1) indicates that the coordination
of 1a with the inorganic node of MOF-808 leads to the
formation of a very stable complex, consistent with the
previous calculations reported by Snurr et al.54 as well as with
the current experimental results.
The second step in the hydrolysis sequence (1a → 1b) was
also the subject of DFT calculations. The MEP for the
conversion of MOF-808-1a into MOF-808-1b is reported in
Figure 6. This second step proceeds via a nucleophilic attack of
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an extra water molecule on the P atom of 1a (Figure 6B),
resulting in the loss of the amidine fragment and the formation
of methylphosphonic acid (MPA) (Figure 6C). Beyond the
transition states, the final product 1b adopts a bidentate
coordination with the inorganic node, where the separating
distance between the amidine molecule and the MPA increases
from 2.2 to 3.6 Å (dark dashed blue line) (Figure 6B,C). The
resulting much higher activation energy (196.1 kJ mol−1)
compared to the one calculated for the A-230 → 1a conversion
(109.7 kJ mol−1) clearly highlights that the catalytic conversion
of 1a to 1b is the rate-limiting step reaction of the overall
degradation mechanism of Novichok A-230. MOF-808-1a has
the most stable configuration along the entire MEP, which
explains the experimentally observed inhibition of the catalytic
conversion of A-230 at high 1a concentrations.
The degradation mechanism of A-232, detailed in Figure S9
and in Figure S10, follows the same trend as found for A-230.
Finding similar MEP energy barriers, this calculation supported
the formation of a highly stable product MOF-808-2a, which
coordinates with the inorganic node in a bidentate manner and
which corroborates the inhibition of degradation of the
Novichok compounds and the slow conversion of 2a into 2b.
■ CONCLUSIONS
We demonstrated the capability of Zr MOF-808 for an
effective degradation of Novichok compounds A-230, A-232,
and A-234. While stable at pH = 10, A-230 and A-232 were
degraded extremely rapidly in the presence of MOF-808. The
degradation of these compounds followed a two-step
hydrolysis mechanism in which P−F bond hydrolysis resulted
in the formation of a second, competitive substrate, which, in
turn, was catalytically degraded through P−N hydrolysis. The
competitive intermediate species formed a stable complex with
MOF-808, which attenuated the degradation rate of the parent
compound and which resulted in bi-phasic degradation curves.
Kinetic analysis provided the rate constants, half-lives, and
TOFs for the (early stage) interactions between MOF-808 and
the Novichok compounds. The initial degradation rates of A-
230 and A-232 were very rapid, with half-lives <30s. A-234
hydrolysis proceeded considerably slower with a half-life of
approximately 7.3 min. DFT calculations confirmed the
reaction sequences observed experimentally and predicted
the formation of the highly stable intermediate, observed
experimentally, which acted as the rate-limiting step in the two-
step hydrolysis sequence. Although the hydrolysis products
inhibited the catalyst, full recovery of catalytic activity could be
effected with only a single wash of the MOF with a buffer,
showing the potential of MOF-808 as an effective catalyst for
detoxifying nerve agents, including Novichoks. However, the
use of pH = 7 and pH = 4.5 buffers resulted in a significant
reduction in conversions rates, showing that a high pH (>7) is
required for efficient Novichok agent degradation by MOF-
808. At pH = 4.5, MOF-808 was marginally active, but the low
pH gave rise to 6 times more rapid P−N bond hydrolysis than
P−F bond hydrolysis in A-230, leading to the formation of the
moderately toxic compound 1c as the major product. The
latter product could be effectively converted into non-toxic 1b
by MOF-808 at pH = 10. Overall, the results show that the
current examples of the new Novichok nerve agents can be
effectively degraded by MOF-808 under basic, aqueous
conditions. These findings encourage further research toward
their applicability in (skin) decontamination concepts.72,73 The
performance under buffer-free conditions needs to be
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evaluated to probe the applicability in, for instance, protective
clothing. The latter issue is more generally applicable to other
agents as well, and may, for instance, be overcome by
implementing basic polymers.43,64,74,75
■
*
ASSOCIATED CONTENT
sı Supporting Information
The Supporting Information is available free of charge at
https://pubs.acs.org/doi/10.1021/acsami.1c24295.
Chemicals and instrumentation details; experimental
details on synthesis; degradation experiments and DFT
calculations; characterization data of MOF-808 (PXRD,
N2 isotherms, DLS, and NMR spectra); additional
degradation curves; kinetic models’ description; HR-MS
data of the Novichok compounds and their degradation
products; and DFT-obtained MEPs and snapshots of the
conversions A-232 → 2a and 2a → 2b (PDF)
■ AUTHOR INFORMATION
Corresponding Authors
Martijn C. de Koning − TNO Defense, Safety and Security,
Rijswijk 2288GJ, The Netherlands; orcid.org/0000-
0001-6482-9502; Email: m.dekoning@tno.nl
Guillaume Maurin − ICGM, Univ. Montpellier, CNRS,
ENSCM, Montpellier 34095, France;
Email: guillaume.maurin1@umontpellier.fr
Authors
Carla Vieira Soares − ICGM, Univ. Montpellier, CNRS,
ENSCM, Montpellier 34095, France
Marco van Grol − TNO Defense, Safety and Security, Rijswijk
2288GJ, The Netherlands
Rowdy P. T. Bross − TNO Defense, Safety and Security,
Rijswijk 2288GJ, The Netherlands; orcid.org/0000-
0002-9667-3036
Complete contact information is available at:
https://pubs.acs.org/10.1021/acsami.1c24295
Author Contributions
§
M.C.d.K. and C.V.S contributed equally to this work.
Notes
The authors declare no competing financial interest.
■
ACKNOWLEDGMENTS
M.C.d.K., M.v.G., and R.B. thank the Dutch MoD for financial
support in the CBRN research program V1802 and the
CPIUM Program. The authors thank Wouter van de Steeg for
SEM images and Thomas Hartman (thisillustrations.com) for
the production of the graphical abstract. C.V.S. and G.M. thank
the ANR SESAM for funding. The computational work was
performed using HPC resources from GENCI-CINES (grant
A0100907613).
■
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