Ammonia-Assisted Proton Transfer Reaction Mass Spectrometry for Detecting Triacetone Triperoxide (TATP) Explosive

Zhang, Qiangling; Zou, Xue; Liang, Qianjin; Wang, Hongmei; Huang, Chaoqun; Shen, Chengyin; Chu, Yannan

doi:10.1007/s13361-018-2108-6

Cited by 20 publications

(12 citation statements)

References 30 publications

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“…CIMS inlets with multiple reagent ion capabilities have been reported previously (e.g., Jordan et al, 2009;Brophy and Farmer, 2015), perhaps most commonly in applications concerning proton-transfer-reaction mass spectrometry (PTRMS). In addition to the usual H 3 O + reagent ion (Hansel et al, 1995), NO + and O + 2 (Jordan et al, 2009), water clusters of H 3 O + (i.e., (H 2 O) n H 3 O + ) (Breitenlechner et al, 2017), NH + 4 (Zhang et al, 2019), and a few others (see (Blake et al, 2009) and references therein) have been employed. Selected ion flow tube (SIFT) applications have similarly utilized H 3 O + , NO + , and O + 2 ionization schemes augmented further (in certain applications) by their fast switching and combined use of simultaneous reagent ions (Smith and Španel, 2005).…”

Section: Introductionmentioning

confidence: 99%

Multi-scheme chemical ionization inlet (MION) for fast switching of reagent ion chemistry in atmospheric pressure chemical ionization mass spectrometry (CIMS) applications

et al. 2019

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Abstract. A novel chemical ionization inlet named the Multi-scheme chemical IONization inlet (MION), Karsa Ltd., Helsinki, Finland) capable of fast switching between multiple reagent ion schemes is presented, and its performance is demonstrated by measuring several known oxidation products from much-studied cyclohexene and α-pinene ozonolysis systems by applying consecutive bromide (Br−) and nitrate (NO3-) chemical ionization. Experiments were performed in flow tube reactors under atmospheric pressure and room temperature (22 ∘C) utilizing an atmospheric pressure interface time-of-flight mass spectrometer (APi-ToF-MS, Tofwerk Ltd., Thun, Switzerland) as the detector. The application of complementary ion modes in probing the same steady-state reaction mixture enabled a far more complete picture of the detailed autoxidation process; the HO2 radical and the least-oxidized reaction products were retrieved with Br− ionization, whereas the highest-oxidized reaction products were detected in the NO3- mode, directly providing information on the first steps and on the ultimate endpoint of oxidation, respectively. While chemical ionization inlets with multiple reagent ion capabilities have been reported previously, an application in which the charging of the sample occurs at atmospheric pressure with practically no sample pretreatment, and with the potential to switch the reagent ion scheme within a second timescale, has not been introduced previously. Also, the ability of bromide ionization to detect highly oxygenated organic molecules (HOM) from atmospheric autoxidation reactions has not been demonstrated prior to this investigation.

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Section: Introductionmentioning

confidence: 99%

Multi-scheme chemical ionization inlet (MION) for fast switching of reagent ion chemistry in atmospheric pressure chemical ionization mass spectrometry (CIMS) applications

et al. 2019

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“…One such reagent ion is NH 4 + , which has been used in various forms of chemical ionisation mass spectrometry (CI-MS), [9][10][11][12][13][14][15][16] including proton transfer reaction mass spectrometry (PTR-MS) [17][18][19][20][21][22] and recently in PTR3 instruments. 23 NH 4 + reagent ions are also used in ion mobility spectrometry (IMS) 24 and high kinetic energy ion mobility spectrometry (HiKE-IMS) 25 techniques.…”

Section: Introductionmentioning

confidence: 99%

Kinetics of reactions of NH₄⁺ with some biogenic organic molecules and monoterpenes in helium and nitrogen carrier gases: A potential reagent ion for selected ion flow tube mass spectrometry

Swift

Smith

Dryahina

et al. 2022

Rapid Comm Mass Spectrometry

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Rationale To assess the suitability of NH4+ as a reagent ion for trace gas analysis by selected ion flow tube mass spectrometry, SIFT‐MS, its ion chemistry must be understood. Thus, rate coefficients and product ions for its reactions with typical biogenic molecules and monoterpenes need to be experimentally determined in both helium, He, and nitrogen, N2, carrier gases. Methods NH4+ and H3O+ were generated in a microwave gas discharge through an NH3 and H2O vapour mixture and, after m/z selection, injected into He and N2 carrier gas. Using the conventional SIFT method, NH4+ reactions were then studied with M, the biogenic molecules acetone, 1‐propanol, 2‐butenal, trans‐2‐heptenal, heptanal, 2‐heptanone, 2,3‐heptanedione and 15 monoterpene isomers to obtain rate coefficients, k, and product ion branching ratios. Polarisabilities and dipole moments of the reactant molecules and the enthalpy changes in proton transfer reactions were calculated using density functional theory. Results The k values for the reactions of the biogenic molecules were invariably faster in N2 than in He but similar in both bath gases for the monoterpenes. Adducts NH4+M were the dominant product ions in He and N2 for the biogenic molecules, whereas both MH+ and NH4+M product ions were observed in the monoterpene reactions; the monoterpene ratio correlating (R2 = 0.7) with the proton affinity, PA, of the monoterpene molecule as calculated. The data indicate that this adduct ion formation is the result of bimolecular rather than termolecular association. Conclusions NH4+ can be a useful reagent ion for SIFT‐MS analyses of molecules with PA(M) < PA(NH3) when the dominant single product ion is the adduct NH4+M. For molecules with PA(M) > PA(NH3), such as monoterpenes, both MH+ and NH4+M ions are likely products, which must be determined along with k by experiment.

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“…[14][15][16][17][18][19] Although mass spectrometry is a sensitive technique, its high cost and inflexibility make it not suitable for practical applications. 20,21 SERS technology has the advantages of fast analysis speed, simple operation, and abundant spectral information. However, the cost is relatively high, and the preparation process of SERS substrates is complex, which also limits its practical application.…”

Section: Introductionmentioning

confidence: 99%

Rapid and selective on-site detection of triacetone triperoxide based on visual colorimetric method

Liu

Zhang

et al. 2022

Journal of Chemical Research

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In this work, a visual colorimetric method for the rapid and selective detection of triacetone triperoxide is reported. This visual colorimetric method is based on the reaction between potassium titanyl oxalate and hydrogen peroxide (H2O2) released from triacetone triperoxide degradation. Potassium titanyl oxalate can selectively react with H2O2 to form peroxo-titanic acid (an orange complex), enabling the colorimetric detection of triacetone triperoxide. Based on the theory that triacetone triperoxide produces hydrogen peroxide under acidic conditions, acid types, acid concentration, response time, visual limit of detection, and reactants ratio are systematically studied simultaneously for this colorimetric method. Under sulfuric acid concentration is 60%, the proposed method can almost detect triacetone triperoxide instantly, and the color of the solution reaches the maximum within 1 min and remains stable with a visual limit of detection as low as 3.0 × 10−5 mol/L. Interference experiments were carried out on other kinds of explosives (hexamethylene triperoxide diamine, trinitrotoluene, etc.). The use of colorimetric card brings great convenience to the rapid, qualitative, and semi-quantitative on-site detection of triacetone triperoxide. Because of its rapidity, high sensitivity, simplicity, and selectivity, the proposed visual colorimetric method can serve as a valuable and promising reference for triacetone triperoxide’s rapid, qualitative on-site detection.

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Ammonia-Assisted Proton Transfer Reaction Mass Spectrometry for Detecting Triacetone Triperoxide (TATP) Explosive

Cited by 20 publications

References 30 publications

Multi-scheme chemical ionization inlet (MION) for fast switching of reagent ion chemistry in atmospheric pressure chemical ionization mass spectrometry (CIMS) applications

Multi-scheme chemical ionization inlet (MION) for fast switching of reagent ion chemistry in atmospheric pressure chemical ionization mass spectrometry (CIMS) applications

Kinetics of reactions of NH₄⁺ with some biogenic organic molecules and monoterpenes in helium and nitrogen carrier gases: A potential reagent ion for selected ion flow tube mass spectrometry

Rapid and selective on-site detection of triacetone triperoxide based on visual colorimetric method

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Ammonia-Assisted Proton Transfer Reaction Mass Spectrometry for Detecting Triacetone Triperoxide (TATP) Explosive

Cited by 20 publications

References 30 publications

Multi-scheme chemical ionization inlet (MION) for fast switching of reagent ion chemistry in atmospheric pressure chemical ionization mass spectrometry (CIMS) applications

Multi-scheme chemical ionization inlet (MION) for fast switching of reagent ion chemistry in atmospheric pressure chemical ionization mass spectrometry (CIMS) applications

Kinetics of reactions of NH4+ with some biogenic organic molecules and monoterpenes in helium and nitrogen carrier gases: A potential reagent ion for selected ion flow tube mass spectrometry

Rapid and selective on-site detection of triacetone triperoxide based on visual colorimetric method

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Kinetics of reactions of NH₄⁺ with some biogenic organic molecules and monoterpenes in helium and nitrogen carrier gases: A potential reagent ion for selected ion flow tube mass spectrometry