Zachary J. Devereaux , E.O. Soley , G. Berden , J. Oomens , M.T. Rodgers
{"title":"Influence of 5-fluorination on the structure and glycosidic bond stability of the protonated canonical DNA and RNA cytidine nucleosides: Oh, what a difference the 2′-hydroxy substituent makes?","authors":"Zachary J. Devereaux , E.O. Soley , G. Berden , J. Oomens , M.T. Rodgers","doi":"10.1016/j.ijms.2024.117350","DOIUrl":"10.1016/j.ijms.2024.117350","url":null,"abstract":"<div><div>Fluorinated nucleosides are well-established as anticancer and antiviral medications. As with many pharmaceuticals, the effects of fluorine modifications are often only partially understood. In this work, the effects of 5-fluorination of the cytosine nucleobase on the structures and glycosidic bond stabilities of the protonated canonical DNA and RNA cytidine nucleosides (dCyd and Cyd) are examined. Infrared multiple photon dissociation action spectroscopy experiments and electronic structure calculations are employed to probe the structural influences of 5-fluorination. Spectral signatures in the IR fingerprint and hydrogen-stretching regions indicate that 5-fluorination heavily directs for and solely produces O2 protonation <em>para</em> to the 5-fluoro substituent. This differs from the canonical cytidine nucleosides where roughly equal populations of O2 and N3 protonated structures were observed. Energy-resolved collision-induced dissociation experiments combined with survival yield analyses are performed to probe the influence of 5-fluorination on glycosidic bond stability. Trends in the energy-dependence of the survival yield curves indicate that 5-fluorination weakens the glycosidic bond, and that the influence of 5-fluorination on glycosidic bond stability is much greater for dCyd than Cyd. Theory also finds that 5-fluorination weakens the glycosidic bond but predicts that the influence of 5-fluorination on N-glycosidic bond stability is roughly the same for dCyd and Cyd. Oh, what a difference the 2′-hydroxy substituent makes?</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"506 ","pages":"Article 117350"},"PeriodicalIF":1.6,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142442862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Theoretical investigation for the proline effect on peptide fragmentation induced by matrix-assisted laser desorption/ionization in-source decay with an oxidizing matrix","authors":"Daiki Asakawa","doi":"10.1016/j.ijms.2024.117348","DOIUrl":"10.1016/j.ijms.2024.117348","url":null,"abstract":"<div><div>The use of an oxidizing matrix for matrix-assisted laser desorption/ionization in-source decay (MALDI-ISD) specifically induces the cleavage of Cα-C bonds on the peptide backbone, except for bonds located on the N-terminal side of proline residues. To examine the effect of Pro residues on bond cleavage induced by MALDI-ISD with an oxidizing matrix, the small dipeptides AcAA-NH<sub>2</sub> and AcAP-NH<sub>2</sub> were used as models. As the fragmentation is initiated by electron transfer from the peptide to the oxidizing matrix, the dissociation chemistry of the cation radical forms of the model peptides [AcAA-NH<sub>2</sub>]<sup>+</sup>• and [AcAP-NH<sub>2</sub>]<sup>+</sup>• was investigated using quantum chemistry calculations. The [AcAA-NH<sub>2</sub>]<sup>+</sup>• can produce fragment ions not only due to Cα–C bond cleavage, but also peptide bond cleavage. Quantum chemistry calculations indicated that peptide bond cleavage of [AcAA-NH<sub>2</sub>]<sup>+</sup>• occurs more slowly compared to Cα–C bond cleavage. Instead of Cα–C bond cleavage, the bond on the N-terminal side of Pro residue undergoes peptide bond cleavage during MALDI-ISD with an oxidizing matrix, due to the lack of an amide hydrogen in the Pro residue. The [AcAP-NH<sub>2</sub>]<sup>+</sup>• undergoes proton migration from the δ-carbon of the Pro residue. Depending on the proton binding site in the peptide cation radical, the peptide bond cleavage of [AcAP-NH<sub>2</sub>]<sup>+</sup>• results in the formation of either [b<sub>1</sub>]<sup>+</sup>, and [y<sub>1</sub>]•, or [a<sub>1</sub>]• and [y<sub>1</sub>]<sup>+</sup>. These theoretical results are consistent with experimental findings, and the newly proposed mechanism involving peptide cation radical formation followed by proton migration provides a more accurate model for the MALDI-ISD processes.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"506 ","pages":"Article 117348"},"PeriodicalIF":1.6,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357047","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Solita M. Wilson , Brittney E. Petel , Michela L. Maiola , Dylan Forbes , Ellen M. Matson , Julia Laskin
{"title":"Mass spectrometry provides insights into the structures of polyoxovanadate alkoxide clusters substituted with Fe and W heterometals","authors":"Solita M. Wilson , Brittney E. Petel , Michela L. Maiola , Dylan Forbes , Ellen M. Matson , Julia Laskin","doi":"10.1016/j.ijms.2024.117347","DOIUrl":"10.1016/j.ijms.2024.117347","url":null,"abstract":"<div><div>Atom-by-atom substitution is a promising strategy for tailoring the electronic properties of transition metal oxide clusters. This approach typically generates a mixture of species that are difficult to separate using conventional methods. As a result, the characterization of their structures and electronic properties remains challenging. Herein, we use collision-induced dissociation (CID) to study the fragmentation of well-defined Fe- and W-doped Lindquist polyoxovanadate methoxides synthesized as a mixture of singly and doubly substituted species. Fragmentation reveals that Fe heteroatoms are efficiently retained within the metal oxide core. In contrast, one W atom is incorporated into the primary WO<sub>2</sub>(OCH<sub>3</sub>)<sub>2</sub> neutral loss from both the singly and doubly substituted W-containing clusters. Collision energy-resolved CID provides insights into the fragmentation pathways, which are compared to those of the homometallic polyoxovanadate methoxide species. The incorporation of Fe into the cluster reduces its stability towards fragmentation, which could be attributed to the increase in the relative stability of Fe-containing fragment ions with four metal atoms in comparison with their homometallic analog. The observed fragmentation is rationalized by assuming that Fe atoms are incorporated within the low valent plane, while one W atom occupies the axial out-of-plane position in the cluster.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"506 ","pages":"Article 117347"},"PeriodicalIF":1.6,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357168","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Virginia G. Rodriguez , Tucker W.R. Lewis , Thomas M. Miller , Shaun G. Ard , Albert A. Viggiano , Nicholas S. Shuman
{"title":"Kinetics of N3+ and N4+ with N(4S), O(3P), and NO","authors":"Virginia G. Rodriguez , Tucker W.R. Lewis , Thomas M. Miller , Shaun G. Ard , Albert A. Viggiano , Nicholas S. Shuman","doi":"10.1016/j.ijms.2024.117345","DOIUrl":"10.1016/j.ijms.2024.117345","url":null,"abstract":"<div><div>Kinetics of the reactions of N<sub>3</sub><sup>+</sup> and N<sub>4</sub><sup>+</sup> with N(<sup>4</sup>S) and O(<sup>3</sup>P) are measured at room temperature using a flowing afterglow-selected ion flow tube apparatus. Oxygen atoms are produced by titrating NO against nitrogen atoms formed from a microwave discharge of N<sub>2</sub>. The reaction rate constants are generally well-described by assuming strict spin-conservation along with Langevin capture kinetics. N<sub>3</sub><sup>+</sup> + N occurs with k = 1.8 × 10<sup>−10</sup> cm<sup>3</sup> s<sup>−1</sup>, spin state counting indicates both doublet and quartet states of N<sub>2</sub><sup>+</sup> are formed. N<sub>4</sub><sup>+</sup> + N occurs with k = 2.2 × 10<sup>−10</sup> cm<sup>3</sup> s<sup>−1</sup>, yielding exclusively N<sub>3</sub><sup>+</sup>. The N<sub>3</sub><sup>+</sup> + O reaction occurs with k = 2.5 × 10<sup>−10</sup> cm<sup>3</sup> s<sup>−1</sup>, yielding significant amounts of NO<sup>+</sup> and N<sub>2</sub><sup>+</sup> products. N<sub>4</sub><sup>+</sup> + O, the only of these reactions without any spin-constraint, is the only reaction to occur near the Langevin capture rate with k = 5.6 × 10<sup>−10</sup> cm<sup>3</sup> s<sup>−1</sup>. The major product of the N<sub>4</sub><sup>+</sup> + O reaction is charge transfer to yield O<sup>+</sup> (k = 4.1 × 10<sup>−10</sup> cm<sup>3</sup> s<sup>−1</sup>) with N<sub>2</sub>O<sup>+</sup> (k = 7.7 × 10<sup>−11</sup> cm<sup>3</sup>s<sup>−1</sup>) and probably NO <sup>+</sup> formed as minor products. The reaction of N<sub>4</sub><sup>+</sup> + NO minimally occurs with k < 6.5 × 10<sup>−12</sup> cm<sup>3</sup> s<sup>−1</sup>. A novel method of assessing uncertainties in rate constants derived from complicated chemical reaction networks is presented, yielding probability density curves as a function of each partial rate constant. The analysis obviates the need of assuming experimental errors of the rate constants are normally distributed.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"506 ","pages":"Article 117345"},"PeriodicalIF":1.6,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
C. Ruth Wang , Paul J. Trim , Jacob XM. Truong , Marten F. Snel , Tara L. Pukala
{"title":"Interrogation of three-finger toxin and phospholipase A2 higher order structures from the forest cobra (Naja melanoleuca) venom using a mass spectrometric approach","authors":"C. Ruth Wang , Paul J. Trim , Jacob XM. Truong , Marten F. Snel , Tara L. Pukala","doi":"10.1016/j.ijms.2024.117346","DOIUrl":"10.1016/j.ijms.2024.117346","url":null,"abstract":"<div><div>Snake venoms are composed of bioactive proteins and peptides from various toxin families and elicit potent pharmacological activity. There is great interest in characterising these venom proteins for the development of effective antivenom treatment as well as utilisation for biomedical and therapeutic applications. However, a thorough structural understanding of the snake venom proteins is necessary. Higher-order protein complexes are known to form in snake venoms and lend structural and functional diversity, often eliciting greater activity than the sum of monomeric protein species. Despite the significance, the nature of these protein complexes is extremely underexplored. In this study, we demonstrate the use of mass spectrometry (MS)-based strategies to explore the toxins at a quaternary level in the venom from the medically significant forest cobra (<em>Naja melanoleuca</em>). Small toxins, mainly three finger toxins (3FTxs) and phospholipase A<sub>2</sub>s (PLA<sub>2</sub>s), were identified by comparison of intact and chemically reduced masses using matrix-assisted laser desorption ionisation (MALDI-MS) profiling. Notably, interrogation of these small toxins by native MS and collision-induced dissociation revealed the presence of various non-covalent 3FTx and PLA<sub>2</sub> dimers, providing insight on the higher-order protein structures for a variety of <em>N. melanoleuca</em> toxins using a MS-based approach. Furthermore, phospholipid substrate specificity of <em>N. melanoleuca</em> PLA<sub>2</sub> enzymes were explored, capturing the indiscriminate activity of these PLA<sub>2</sub>s towards a range of phospholipid classes for the first time.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"506 ","pages":"Article 117346"},"PeriodicalIF":1.6,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142319203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Protonation-induced tautomerization lowers the activation barriers for N-glycosidic bond cleavage of thymidine and 5-methyluridine","authors":"R.R. Wu , M.T. Rodgers","doi":"10.1016/j.ijms.2024.117344","DOIUrl":"10.1016/j.ijms.2024.117344","url":null,"abstract":"<div><div>Synergistic infrared multiple photon dissociation (IRMPD) action spectroscopy experiments and electronic structure calculations revealed that both 2,4-dihydroxy tautomers and O2 protonated conformers of protonated thymidine, [dThd+H]<sup>+</sup>, and protonated 5-methyluridine, [Thd+H]<sup>+</sup> coexist in the gas phase with the 2,4-dihydroxy tautomers dominating the population. In the current study, the kinetic energy dependence of the collision-induced dissociation behavior of [dThd+H]<sup>+</sup> and [Thd+H]<sup>+</sup> are examined in a guided ion beam tandem mass spectrometer. The primary dissociation pathways observed involve N<em>-</em>glycosidic bond cleavage leading to competitive elimination of either protonated or neutral thymine. The potential energy surfaces (PESs) for these N<em>-</em>glycosidic bond cleavage pathways are mapped via electronic structure calculations for the mixture of 2,4-dihydroxy tautomers and O2 protonated conformers of [dThd+H]<sup>+</sup> and [Thd+H]<sup>+</sup> populated in the IRMPD experiments. The activation energies and heats of reaction predicted for N<em>-</em>glycosidic bond cleavage at the B3LYP and MP2(full) levels of theory are compared to the measured values. The agreement between experiment and theory indicates that B3LYP provides better estimates of the energetics of the species along the PESs for N<em>-</em>glycosidic bond cleavage of [dThd+H]<sup>+</sup> and [Thd+H]<sup>+</sup> than MP2, and that the 2,4-dihydroxy tautomers, which are stabilized by strong hydrogen-bonding interactions, control the threshold dissociation behavior of [dThd+H]<sup>+</sup> and [Thd+H]<sup>+</sup>.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"507 ","pages":"Article 117344"},"PeriodicalIF":1.6,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652333","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Low pressure-alternating current glow discharge ion source for mass spectrometry","authors":"Lulu Shi , Ahsan Habib , Lei Bi , Luhong Wen","doi":"10.1016/j.ijms.2024.117343","DOIUrl":"10.1016/j.ijms.2024.117343","url":null,"abstract":"<div><div>For social security and safety, the sensitive explosives detection is crucial. Mass spectrometry (MS), a unique technique that may immediately reveal information about molecular structure, is considered as the “gold standard” in analytical science. Both science and technology now frequently employ MS-based techniques. This study developed an air-based low-pressure alternating current glow discharge (LP-acGD) ion source for MS to investigate its ionization efficiency in both positive and negative ion modes. The LP-acGD ion source gave O<sub>3</sub><sup>−•</sup>, CO<sub>3</sub><sup>−•</sup>, HCO<sub>3</sub><sup>−</sup>, HCO<sub>4</sub><sup>−</sup>, NO<sub>2</sub><sup>−</sup> and NO<sub>3</sub><sup>−</sup> ions that appeared at <em>m/z</em> 48, 60, 61, 77, 46 and 62, respectively in negative ion mode, some of these contributed to the formation of adduct ions. In positive ion mode, only protonated acetone, [Acetone + H]<sup>+</sup> <em>m/z</em> 59, was detected at the beginning of the total ion current when 15 and 5 V were applied at orifices 1 and 2, respectively. However, the background ion signals were stabilized by protonated acetone and water cluster ions [(H<sub>2</sub>O)<sub>n</sub> + H]<sup>+</sup> (n = 3, 4) as applied voltages were 40 and 0 V at orifices 1 and 2, respectively. Hydrogen peroxide, 3,4-dinitrotoluene, nitric acid, hexafluorobenzene, triacetone triperoxide and basil leaf were taken as model samples to investigate the efficiency of the ion source. In negative ion mode, H<sub>2</sub>O<sub>2</sub> and HNO<sub>3</sub> gave [H<sub>2</sub>O<sub>2</sub>+O<sub>2</sub>]<sup>-</sup> <em>m/z</em> 66 and [HNO<sub>3</sub>+NO<sub>3</sub>]<sup>-</sup> <em>m/z</em> 125, whereas 3,4-DNT and HFB exhibited mostly molecular ions. In positive ion mode, TATP yielded fragment ions of [C<sub>3</sub>H<sub>6</sub>O<sub>2</sub>+H]<sup>+</sup> <em>m/z</em> 75 and [C<sub>3</sub>H<sub>6</sub>O<sub>3</sub>+H]<sup>+</sup> <em>m/z</em> 91. The present method has been validated for detection and quantification of H<sub>2</sub>O<sub>2</sub> and HNO<sub>3</sub>. Ion formation mechanisms are also discussed.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"506 ","pages":"Article 117343"},"PeriodicalIF":1.6,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142312020","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Lachlan J. Jekimovs , Isaac O. Akefe , Tristan P. Wallis , Reuben S.E. Young , Samuel C. Brydon , Frédéric A. Meunier , Berwyck L.J. Poad , Stephen J. Blanksby
{"title":"Making OzID go FFASTer: Combining stable-isotope tagging with ozone-induced dissociation to uncover changes in fatty acid unsaturation within neurosecretory cells","authors":"Lachlan J. Jekimovs , Isaac O. Akefe , Tristan P. Wallis , Reuben S.E. Young , Samuel C. Brydon , Frédéric A. Meunier , Berwyck L.J. Poad , Stephen J. Blanksby","doi":"10.1016/j.ijms.2024.117342","DOIUrl":"10.1016/j.ijms.2024.117342","url":null,"abstract":"<div><div>Despite lipids providing a major contribution to the mass of the brain, at the molecular level, the brain lipidome remains incompletely described and the functions of many of the species identified to date are unknown. Recently, unusual unsaturated fatty acids –with carbon-carbon double bonds in positions not predicted by canonical lipid metabolism– were identified in the mouse brain. The extent to which these unusual lipids contribute to neurochemical processes presents a significant gap in knowledge that is challenging to close due to technological impediments to the detection and tracing of such novel fatty acids. Here we deploy state-of-the-art mass spectrometric methods coupled with diagnostic ion-molecule reactions in the form of ozone-induced dissociation to enable detection and relative quantification of unsaturated fatty acids in an <em>in vitro</em> brain model based on the PC12 cell line. This approach revealed the presence of abundant populations of non-canonical fatty acids, including FA 16:1<em>n-</em>10,<em>cis</em> (sapienic acid) and FA 18:1<em>n-</em>10,<em>cis</em> (dihomosapienic acid), in extracts from PC-12 cell lines. Neither of these fatty acids have previously been reported in neurons or neurosecretory-like cells, with both demonstrated to increase between 2 and 4-fold in relative abundance upon active stimulation.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"506 ","pages":"Article 117342"},"PeriodicalIF":1.6,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142319202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Determination of dimethyl sulfate genotoxic impurity in pantoprazole sodium sesquihydrate by derivatization method and UPLC/MS","authors":"Tayfun Çeğil, Alper Yardımcı, Neval Sevinç, Zahit Pamukçu","doi":"10.1016/j.ijms.2024.117330","DOIUrl":"10.1016/j.ijms.2024.117330","url":null,"abstract":"<div><p>In this study, a new method has been developed and, the method has been validated to analyze dimethyl sulfate (DMS) which known as a genotoxic impurity. DMS has been detected in trace levels within the drug substance pantoprazole sodium sesquihydrate using the derivatization method. Triethylamine has been used as derivatization reagent. Due to the highly polar nature of the derivatization product, which is a quaternary ammonium ion, a polar retention Hilic column has been used for chromatographic separation. The Waters QDA detector has been used in the single ion recording (SIR) mode at <em>m</em>/<em>z</em> 116 for the detection of the quaternary ammonium ion. In this study, the recovery rates have been achieved within the range of 96.46–105.98%. The LOD has been determined as 1.94E-07 mg/mL, and the LOQ has been determined as 6.46E-07 mg/mL. From the results, it can be said that the improved method in this study, would enables fast and reliable solutions for routine quality control analyses for DMS in API companies that especially is producing PSS.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"506 ","pages":"Article 117330"},"PeriodicalIF":1.6,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142233636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Evaluation of MagneTOF detector signals for the determination of many-ion bunches","authors":"Florian Simke, Paul Fischer, Lutz Schweikhard","doi":"10.1016/j.ijms.2024.117337","DOIUrl":"10.1016/j.ijms.2024.117337","url":null,"abstract":"<div><p>In preparation of space-change studies a MagneTOF detector is evaluated for bunches with a wide range of ion numbers. The detector is calibrated based on the comparison between single-ion counting and ion-bunch-signal integration. This allows to determine up to several ten thousands of ions in a bunch with a FWHM of about <span><math><mrow><mn>700</mn><mspace></mspace><mi>ns</mi></mrow></math></span>, the integrated signal of which increases linearly with the ion number. Furthermore, this detector limit can be circumvented using transmission-limiting elements in front of the detector. Based on this, ion bunches are investigated up to several million ions, which are prepared with a linear Paul trap. Thus, in addition to the MagneTOF detector this trap is characterized with respect to its space-charge limits at low potential-well depth.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"506 ","pages":"Article 117337"},"PeriodicalIF":1.6,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1387380624001489/pdfft?md5=e5709947d69dd2306df0656bec6b1120&pid=1-s2.0-S1387380624001489-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142243598","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}