Nucleophilic Atom Research Articles

Three-dimensional alkaline earth metal-organic framework poly[[μ-aqua-aqua-bis-(μ3-carba-moyl-cyano-nitro-somethanido)barium] monohydrate] and its thermal decomposition.

In the structure of the title salt, {[Ba(μ3-C3H2N3O2)2(μ-H2O)(H2O)]·H2O} n , the barium ion and all three oxygen atoms of the water mol-ecules reside on a mirror plane. The hydrogen atoms of the bridging water and the solvate water mol-ecules are arranged across a mirror plane whereas all atoms of the monodentate aqua ligand are situated on this mirror plane. The distorted ninefold coord-ination of the Ba ions is completed with four nitroso-, two carbonyl- and three aqua-O atoms at the distances of 2.763 (3)-2.961 (4) Å and it is best described as tricapped trigonal prism. The three-dimensional framework structure is formed by face-sharing of the trigonal prisms, via μ-nitroso- and μ-aqua-O atoms, and also by the bridging coordination of the anions via carbonyl-O atoms occupying two out of the three cap positions. The solvate water mol-ecules populate the crystal channels and facilitate a set of four directional hydrogen bonds. The principal Ba-carbamoyl-cyano-nitro-somethanido linkage reveals a rare example of the inherently polar binodal six- and three-coordinated bipartite topology (three-letter notation sit). It suggests that small resonance-stabilized cyano-nitroso anions can be utilized as bridging ligands for the supra-molecular synthesis of MOF solids. Such an outcome may be anti-cipated for a broader range of hard Lewis acidic alkaline earth metal ions, which perfectly match the coordination preferences of highly nucleophilic nitroso-O atoms. Thermal analysis reveals two-stage dehydration of the title compound (383 and 473 K) followed by decomposition with release of CO2, HCN and H2O at 558 K.

Competing C and N as Reactive Centers for Microsolvated Ambident Nucleophiles CN-(H2O)n=0-3: A Theoretical Study of E2/SN2 Reactions with CH3CH2X (X = Cl, Br, I).

As an ambident nucleophile, CN- has both C and N atoms that can act as the reactive center to facilitate substitution reactions. We investigate in detail the potential energy profiles of CN-(H2O)0-3 with CH3CH2X (X = Cl, Br, I) to explore the influence of solvent molecules on competition between the different nucleophilic atoms C and N involving the SN2 and E2 pathways. The energy barrier sequence for the transition states follows C@inv-SN2 < N@inv-SN2 < C@anti-E2 < N@anti-E2. When two different atoms act as nucleophilic atoms, the SN2 reaction is always preferred over the E2 reaction, and this preference increases with microsolvation. For the ambident nucleophiles CN-(H2O)0-3, C as the reactive center always has stronger nucleophilicity and basicity than N acting as the reactive center. Regarding the leaving group, the height of the energy barrier is positively correlated with the acidity of the CH3CH2X substrate for the E2 pathway and with X-heterolysis for the SN2 pathway. Furthermore, we found that in the gas phase, the energy barrier for different leaving group systems decreases gradually in the order Cl > Br > I, while in the SMD solution, the energy barrier and product energy increase slightly in the system from X = Cl to Br; this change may be due to the significantly weakened transition-state interaction for the X = Br system. Our activation strain, quantitative molecular orbital, and charge analyses reveal the physical mechanisms underlying the various computed trends. In addition, we also demonstrate the two points recently proposed by Vermeeren, P. . Chem. Eur. J. 2020, 26, 15538-15548.

Reinforcing cementitious composites with nitrogen-doped graphene: insights into molecular interactions and interfacial behavior

Graphene materials are useful functional fillers in cementitious materials. They are essential in creating intelligent cementitious materials, enabling the construction of internal conductive networks and the addition of thermoelectric properties. The success of this process hinges on the functional filler's compatibility with the cement matrix, which must be excellent to ensure optimal results. In this study, we delved into the interactions between nitrogen-doped graphene and calcium silicate hydrate (C-S-H), which is the principal binding phase in cementitious materials, employing Density Functional Theory (DFT) calculations. In this study, we explored diverse nitrogen doping configurations and levels, while concurrently analyzing the influence of calcium cations at the C-S-H matrix interface. The findings indicate that nitrogen atoms in doped graphene interact considerably with nucleophilic oxygen atoms on silicate chains, forming covalent N-O bonds with high bonding energies (length 1.4 A, −107.81 kcal/mol) during graphitic nitrogen doping. The presence of calcium ions further strengthens the interaction energy between C-S-H and graphene, suggesting a synergistic effect between different types of nitrogen doping. The binding and total bond energies under the synergistic effect were −479.52 kcal/mol and −183.23 kcal/mol, respectively. These values were 1.5 times higher than those of single nitrogen doping. These findings offer significant insights into the molecular-level interaction between CSH and carbon nanoparticles.

Exploring the inhibitory action of betulinic acid on key digestive enzymes linked to diabetes via in vitro and computational models: approaches to anti-diabetic mechanisms

ABSTRACT Phytochemicals are now increasingly exploited as remedial agents for the management of diabetes due to side effects attributable to commercial antidiabetic agents. This study investigated the structural and molecular mechanisms by which betulinic acid exhibits its antidiabetic effect via in vitro and computational techniques. In vitro antidiabetic potential was analysed via on α-amylase, α-glucosidase, pancreatic lipase and α-chymotrypsin inhibitory assays. Its structural and molecular inhibitory mechanisms were investigated using Density Functional Theory (DFT) analysis, molecular docking and molecular dynamics (MD) simulation. Betulinic acid significantly (p < 0.05) inhibited α-amylase, α-glucosidase, pancreatic lipase and α-chymotrypsin enzymes with IC50 of 70.02 μg/mL, 0.27 μg/mL, 1.70 μg/mL and 8.44 μg/mL, respectively. According to DFT studies, betulinic acid possesses similar reaction in gaseous phase and water due to close values observed for highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital (LUMO) and the chemical descriptors. The dipole moment indicates that betulinic acid has high polarity. Molecular electrostatic potential surface revealed the electrophilic and nucleophilic attack-prone atoms of the molecule. Molecular dynamic studies revealed a stable complex between betulinic acid and α-amylase, α-glucosidase, pancreatic lipase and α-chymotrypsin. The study elucidated the potent antidiabetic properties of betulinic acid by revealing its conformational inhibitory mode of action on enzymes involved in the onset of diabetes.

Magnesium-based electrolytes with ionic liquids chloride additives: Quantum chemical stationary point analysis

The application of magnesium in electrolytes may decrease rechargeable battery production and utilization costs and improve some aspects of their performance. Yet, the development of robust electrolyte technologies remains a technological challenge. The search for optimal chemical compositions to avoid the formation of passivation layers on the electrode and increase the electrochemical stabilities of the electrolytes are underway. We hereby report the computational investigation on the magnesium-based electrolyte magnesium triflate supplemented by two chloride-containing additives tetrabutylammonium chloride and 1-ethyl-3-methylimidazolium chloride. Dimethoxy ethane (DME) is used as a molecular cosolvent. By revealing all possible ion-ionic and ion-molecular coordination patterns, we characterize the structural properties of these many-component systems and link them to the recently reported experimental results. Furthermore, the computed binding and cohesion energies were correlated to the transport properties of the electrolytes. We unveiled that the performances of both 1-ethyl-3-methylimidazolium chloride and tetrabutylammonium chloride additives were similar in all respects. However, 1-ethyl-3-methylimidazolium may be preferred because of its smaller size favoring lower shear viscosity. DME extensively participates in the coordination of Mg2+ by competing with chloride and triflate. The nucleophilic oxygen atoms of the anions and solvent molecules dominate the low-energy magnesium solvation patterns. The presence of the chloride anion in the first solvation shell of magnesium routinely corresponds to the highest thermodynamic stabilities of all investigated electrolyte solutions. The reported results foster the understanding of the magnesium-based ion-molecular systems. They are addressed to the researchers of electrolyte solutions and electrostatic coupling.

Microalgae enhanced co-metabolism of sulfamethoxazole using aquacultural feedstuff components: Co-metabolic pathways and enzymatic mechanisms

The application of antibiotics in freshwater aquaculture leads to increased contamination of aquatic environments. However, limited information is available on the co-metabolic biodegradation of antibiotics by microalgae in aquaculture. Feedstuffs provide multiple organic substrates for microalgae-mediated co-metabolism. Herein, we investigated the co-metabolism of sulfamethoxazole (SMX) by Chlorella pyrenoidosa when adding main components of feedstuff (glucose and lysine). Results showed that lysine had an approximately 1.5-fold stronger enhancement on microalgae-mediated co-metabolism of SMX than glucose, with the highest removal rate (68.77% ± 0.50%) observed in the 9-mM-Lys co-metabolic system. Furthermore, we incorporated reactive sites predicted by density functional theory calculations, 14 co-metabolites identified by mass spectrometry, and the roles of 18 significantly activated enzymes to reveal the catalytic reaction mechanisms underlying the microalgae-mediated co-metabolism of SMX. In lysine- and glucose-treated groups, five similar co-metabolic pathways were proposed, including bond breaking on the nucleophilic sulfur atom, ring cleavage and hydroxylation at multiple free radical reaction sites, together with acylation and glutamyl conjugation on electrophilic nitrogen atoms. Cytochrome P450, serine hydrolase, and peroxidase play crucial roles in catalyzing hydroxylation, bond breaking, and ring cleavage of SMX. These findings provide theoretical support for better utilization of microalgae-driven co-metabolism to reduce sulfonamide antibiotic residues in aquaculture.

The Cyanoketenyl Anion [NC3O

Cumulenes and heterocumulenes with three or more cumulative multiple bonds are usually reactive species that serve as valuable building blocks for more complex molecules but tend to isomerize or cyclize and therefore are difficult to isolate. Using a mild ligand exchange reaction at the carbon in α-metalated ylides, we have now succeeded in the synthesis and gram-scale isolation of the elusive cyanoketenyl anion [NC3O]-. Despite its assumed cumulene-like structure and the delocalization of the negative charge across the whole 5-atom molecule, it features a bent geometry with a nucleophilic central carbon atom. Computational studies reveal an ambiguous bonding situation in the anion, which can be illustrated only by a combination of different resonance structures. Nonetheless, the anion features remarkable stability, thus allowing the storage of its potassium-crown ether salt and its application as a highly functional synthetic building block. The cyanoketenyl anion readily reacts with a series of small molecules to form more complex organic compounds, including industrially valuable compounds such as cyanoacetate. This work demonstrated that reactive species can be generated by novel synthesis methods and open up atom-economic pathways to complex compounds from small abundant molecules.

The Cyanoketenyl Anion [NC3O]−

AbstractCumulenes and heterocumulenes with three or more cumulative multiple bonds are usually reactive species that serve as valuable building blocks for more complex molecules but tend to isomerize or cyclize and therefore are difficult to isolate. Using a mild ligand exchange reaction at the carbon in α‐metalated ylides, we have now succeeded in the synthesis and gram‐scale isolation of the elusive cyanoketenyl anion [NC3O]−. Despite its assumed cumulene‐like structure and the delocalization of the negative charge across the whole 5‐atom molecule, it features a bent geometry with a nucleophilic central carbon atom. Computational studies reveal an ambiguous bonding situation in the anion, which can be illustrated only by a combination of different resonance structures. Nonetheless, the anion features remarkable stability, thus allowing the storage of its potassium‐crown ether salt and its application as a highly functional synthetic building block. The cyanoketenyl anion readily reacts with a series of small molecules to form more complex organic compounds, including industrially valuable compounds such as cyanoacetate. This work demonstrated that reactive species can be generated by novel synthesis methods and open up atom‐economic pathways to complex compounds from small abundant molecules.

Shapeshifting Nucleophiles HO-(NH3)n React with Methyl Chloride.

The microsolvated anions HO-(NH3)n were found to induce new nucleophile NH2-(H2O)(NH3)n-1 via intramolecular proton transfer. Hence, the ion-molecule nucleophilic substitution (SN2) reaction between CH3Cl and these shapeshifting nucleophiles lead to both the HO- path and NH2- path, meaning that the respective attacking nucleophile is HO- or NH2-. The CCSD(T) level of calculation was performed to characterize the potential energy surfaces. Calculations indicate that the HO- species are lower in energy than the NH2- species, and the SN2 reaction barriers are lower for the HO- path than the NH2--path. Incremental solvation increases the barrier for both paths. Comparison between HO-(NH3)n and HOO-(NH3)n confirmed the existence of an α-effect under microsolvated conditions. Comparison between HO-(NH3)n and HO-(H2O)n indicated that the more polarized H2O stabilizes the nucleophiles more than NH3, and thus, the hydrated systems have higher SN2 reaction barriers. The aforementioned barrier changes can be explained by the differential stabilization of the nucleophile and HOMO levels upon solvation, thus affecting the HOMO-LUMO interaction between the nucleophile and substrate. For the same kind of nucleophilic attacking atom, O or N, the reaction barrier has a good linear correlation with the HOMO level of the nucleophiles. Hence, the HOMO level or the binding energy of microsolvated nucleophiles is a good indicator to evaluate the order of barrier heights. This work expands our understanding of the microsolvation effect on prototype SN2 reactions beyond the water solvent.

Trivalent Nickel-Catalyzing Electroconversion of Alcohols to Carboxylic Acids.

The comprehension of activity and selectivity origins of the electrooxidation of organics is a crucial knot for the development of a highly efficient energy conversion system that can produce value-added chemicals on both the anode and cathode. Here, we find that the potential-retaining trivalent nickel in NiOOH (Fermi level, -7.4 eV) is capable of selectively oxidizing various primary alcohols to carboxylic acids through a nucleophilic attack and nonredox electron transfer process. This nonredox trivalent nickel is highly efficient in oxidizing primary alcohols (methanol, ethanol, propanol, butanol, and benzyl alcohol) that are equipped with the appropriate highest occupied molecular orbital (HOMO) levels (-7.1 to -6.5 eV vs vacuum level) and the negative dual local softness values (Δsk, -0.50 to -0.19) of nucleophilic atoms in nucleophilic hydroxyl functional groups. However, the carboxylic acid products exhibit a deeper HOMO level (<-7.4 eV) or a positive Δsk, suggesting that they are highly stable and weakly nucleophilic on NiOOH. The combination (HOMO, Δsk) is useful in explaining the activity and selectivity origins of electrochemically oxidizing alcohols to carboxylic acid. Our findings are valuable in creating efficient energy conversions to generate value-added chemicals on dual electrodes.

Channel Confinement Enables K Species with Rich Electrons in α‐MnO2 for Water Molecules Activation

AbstractWater molecules are actively involved in many catalytic oxidation processes, which require the construction of highly active sites for their activation to accelerate the reaction rate, especially over non‐noble metal catalysts. Herein, K species is embeded into the natural 2*2 channel of α‐MnO2 by a hydrothermal coupled molten salt method, which would make these K species behave in an electron‐rich state and provide more electrons for the activation of water molecules. Compared with surface K modification (namely, the electron‐deficient K species), channel K confinement can lower the activation energy barrier of H2O dissociation on α‐MnO2 to generate hydroxyl species with more nucleophilic oxygen atoms, contributing to the superior HCHO catalytic oxidation activity with a fourfold enhancement. The internal relationship among the confined channel, K species, and catalytic performance is systematically elucidated at the molecular level. This work offers a new ion confinement method and opens up new avenues to construct electron‐rich metal sites with channel structures for the activation of water molecules.

Syntheses and Characterization of Ti(III)/Ti(IV) Triazenido Complexes

AbstractThe syntheses of side‐on Ti(III) triazenido complexes via the ethylene complexes Cp*Ti(η2‐C2H4)(η5‐C5H4CR2H) and side‐on Ti(IV) triazenido complexes via bis(π‐η5 : σ‐η1‐pentafulvene) titanium complexes are reported. The deprotonation of the triazene N−H function occurs under mild conditions either by reduction of the proton to hydrogen mediated via the masked titanocene (II) of the ethylene complex or by the nucleophilic Cexo atom of the pentafulvene moiety. The structures of the paramagnetic Ti(III) complexes were confirmed by single‐crystal X‐ray diffraction, whereas the diamagnetic Ti(IV) complexes were characterized via NMR spectroscopy and additionally, Ti2 c by single‐crystal X‐ray diffraction. The structure of complex Ti2 c reveals one of the smallest bent angles known for titanium pentafulvene complexes.

Selective hydrogenation of furfural to furfuryl alcohol through hydrogenation spillover over amorphized HA zeolite encapsulated platinum clusters

Design of heterogeneous catalyst to achieve efficient conversion of biomass to high added-value chemicals is still very attractive. Herein, taking industrially important selective hydrogenation of furfural to furfuryl alcohol as an example, the designed amorphized HA zeolite encapsulation of platinum clusters (denoted as Pt@HA) exhibited excellent catalytic selectivity at totally conversion of the reactant furfural, along with good reusability and poison resistance ability. The selected amorphized HA zeolite with very small pore size constrained the reactant furfural to be reacted through hydrogen spillover process at zeolite surface, instead of to be adsorbed and activated onto Pt surface. Resulting from the stronger interaction between nucleophilic oxygen atom of aldehyde group and acid site at HA zeolite surface than that of furan ring group, furfural preferred to adsorb onto Pt@HA surface with the end of aldehyde group rather than the end of furan ring group, thus facilitating the spilled H atom to react with aldehyde group to give desired furfuryl alcohol product exclusively.

π-Electron Fluctuation-Induced P+ /C- Ambiphilic Interaction for Intramolecular CAr -H Bond Activation.

Herein, we describe how computational mechanistic understanding has led directly to the discovery of new 2H-phosphindole for C-CAr bond activation and dearomatization reaction. We uncover an unexpected intramolecular C-H bond activation with a 2H-phosphindole derivative. This new intriguing experimental observation and further theoretical studies led to an extension of the reaction mechanism with 2H-phosphindole. Through DFT calculations, we confirm that within a five-membered ring, the polarizable PC3 unit orchestrates the formation of an electrophilic phosphorus atom (P+ ) and a nucleophilic carbon atom (C- ). This kinetically accessible ambiphilic phosphorus/carbon couple is spatially separated by geometric constraints, and their reactivity is modulated through structural resonance.

Nonredox trivalent nickel catalyzing nucleophilic electrooxidation of organics

A thorough comprehension of the mechanism behind organic electrooxidation is crucial for the development of efficient energy conversion technology. Here, we find that trivalent nickel is capable of oxidizing organics through a nucleophilic attack and electron transfer via a nonredox process. This nonredox trivalent nickel exhibits exceptional kinetic efficiency in oxidizing organics that possess the highest occupied molecular orbital energy levels ranging from −7.4 to −6 eV (vs. Vacuum level) and the dual local softness values of nucleophilic atoms in nucleophilic functional groups, such as hydroxyls (methanol, ethanol, benzyl alcohol), carbonyls (formamide, urea, formaldehyde, glucose, and N-acetyl glucosamine), and aminos (benzylamine), ranging from −0.65 to −0.15. The rapid electrooxidation kinetics can be attributed to the isoenergetic channels created by the nucleophilic attack and the nonredox electron transfer via the unoccupied eg orbitals of trivalent nickel (t2g6eg1). Our findings are valuable in identifying kinetically fast organic electrooxidation on nonredox catalysts for efficient energy conversions.

Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis.

Understanding the geometrical preferences in chemical reactions is crucial for advancing the field of organic chemistry and improving synthetic strategies. One such preference, the Bürgi-Dunitz angle, is central to nucleophilic addition reactions involving carbonyl groups. This study successfully employs a novel two-dimensional Distortion-Interaction/Activation-Strain Model in combination with a two-dimensional Energy Decomposition Analysis to investigate the origins of the Bürgi-Dunitz angle in the addition reaction of CN- to (CH3)2C═O. We constructed a 2D potential energy surface defined by the distance between the nucleophile and carbonylic carbon atom and by the attack angle, followed by an in-depth exploration of energy components, including strain and interaction energy. Our analysis reveals that the Bürgi-Dunitz angle emerges from a delicate balance between two key factors: strain energy and interaction energy. High strain energy, as a result of the carbonyl compound distorting to avoid Pauli repulsion, is encountered at high angles, thus setting the upper bound. On the other hand, interaction energy is shaped by a dominant Pauli repulsion when the angles are lower. This work emphasizes the value of the 2D Energy Decomposition Analysis as a refined tool, offering both quantitative and qualitative insights into chemical reactivity and selectivity.

Синтез спиропирролизидинов, содержащих хиноксалиновый и пиррольный фрагменты

The reaction of 1,3-dipolar cycloaddition azomethine ylides obtained by the in situ interaction of 11H-indeno[1,2-b]quinoxalin-11-one and proline, and 3-phenyl-1-pyrrolyl-2-en-1-ones has been used for the synthesis of substituted spiropyrrolizidines in continuation of the study the use of new enones as dipolarophiles. The conditions for the implementation of a three-component synthesis (temperature regime, solvent, activation method) are selected. The best performance has been obtained by refluxing the reaction mixture in ethanol. Ultrasonic activation did not reduce the reaction time or increase the yields significantly. The reaction proceeds regio- and diastereoselectively with the formation of a single type of products in 72–76% yields. It has been found that carrying out the process in the mode of a four-component reaction using ninhydrin and 1,2-phenylphamine, the reaction product of which is 11H-indeno[1,2-b]quinoxalin-11-one, with the selected dipolarophile is impossible due to the formation of ninhydrin azomethine ylide and proline and its interaction with a dipolarophile to give substituted spiro[indene-2,3’- pyrrolysine]-1,3-diones, which has been proven by a counter synthesis using enone, ninhydrin and proline, which also results in the same type products with yields of 89–92%. A probable scheme of the studied transformations is proposed. Regio- and diastereoselectivity testifies in favor of concerted cycloaddition, passing in both cases through a transition state in which a bond is formed between the most electrophilic β-carbon atom of the enone system and the nucleophilic carbon atom of the dipole. The reasons for the observed features are discussed. The composition and structure of the final products have been confirmed by elemental analysis, 1Н, 13С NMR, HMBC, NOESY spectroscopy. The resulting compounds contain pharmacophoric quinoxaline and pyrrole fragments and can be used to study various types of biological activity characteristic of structures with similar fragments.

On the Mechanism of Anti-galvanic Metal Displacement Reaction between [Au25(SR)18]- and Metal-Thiolate Complex.

Metal displacement reaction is widely used for preparing alloy nanomaterials. In this study, the mechanism of anti-galvanic metal displacement reaction between the atomic precision [Au25(SC2H4Ph)18]- cluster and the metal-thiolate complexes SR-M-SR (M = Ag, Cd, and Hg) is studied based on dispersion correction density functional theory (DFT-D) calculations. The present study reveals that the metal displacement reaction of the Au25 cluster is carried out through two-stage metal diffusion including the rapid diffusion of the metal heteroatom from metal thiolate to the ligand layer of Au25 cluster and then gradual diffusion of the metal heteroatom into the icosahedral 13-atom core. The atomic charge analysis confirms that the SR group plays a crucial role. Due to the partial reducibility of SR group, it can nucleophilic attack Au atom to result in the fracture of the Au-S bond in the ligand layer and the formation of atomic vacancy on the surface of the metal core, which facilitates the metal heteroatom diffusion from the metal-SR complex to the ligand layer of gold cluster and then to the surface of gold core.

Theoretical speculation on the chemical reaction activity site and degradation mechanism of chloramphenicol

Chemical reaction active sites of chloramphenicol are investigated by density functional theory. Three atomic sites are considered the most possible nucleophilic sites. Results indicate that the chemical reaction active sites are formed around four bond sites associated with three nucleophilic atom sites. CAP is a case of joint electrostatic and electron transfer control, and N5 is the most favourable site with electrostatic control, while the reaction between CAP and free radical is transfer control. Moreover, a detailed explanation on why bond (C1C2) is considered the reactivity center of CAP and why no N-related products are generated in experiments is provided.

Development of Binary Coassemblies for Sensitively and Selectively Detecting Gaseous Sarin.

The low sensitivity and poor selectivity of fluorescence sensors for real gaseous sarin detection greatly hinder their real-world applications. In this work, we report the development of a novel fluorophore with an active N-H vibration in the benzimidazole group for the sensitive detection of gaseous sarin. We demonstrate that the interactions between the nucleophilic fluorine atom in sarin and the electrophilic hydrogen atom in the benzimidazole group of the fluorophore can restrict the N-H vibration to yield sensitive fluorescence-enhancing responses. On the basis of this mechanism, the experimental and theoretical limits of detection for gaseous sarin can reach as low as 50 and 4.8 ppb, respectively. We further coassemble this fluorophore with another two D-A fluorophores containing different acceptor groups and use the resulting coassemblies as sensor array members to obtain access to differential combined responses to gaseous sarin compared with various interferents, including diethylchlorophosphate and acids. This two-member sensor array proves to be capable of detecting trace sarin in complex environments, demonstrating its potential applications in the real world.