International Journal of Mass Spectrometry最新文献

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Single-frequency ion parking in a digital 3D quadrupole ion trap 数字三维四极杆离子阱中的单频离子驻留
IF 1.6 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-06-25 DOI: 10.1016/j.ijms.2024.117282
Liangxuan Fu, Gregory S. Eakins, Mark S. Carlsen, Scott A. McLuckey
{"title":"Single-frequency ion parking in a digital 3D quadrupole ion trap","authors":"Liangxuan Fu,&nbsp;Gregory S. Eakins,&nbsp;Mark S. Carlsen,&nbsp;Scott A. McLuckey","doi":"10.1016/j.ijms.2024.117282","DOIUrl":"https://doi.org/10.1016/j.ijms.2024.117282","url":null,"abstract":"<div><p>Single-frequency ion parking, a useful technique in electrospray mass spectrometry (ESI-MS), involves gas-phase charge-reduction ion/ion reactions in an electrodynamic ion trap in conjunction with the application of a supplementary oscillatory voltage to selectively inhibit the reaction rate of an ion of interest. The ion parking process provides a means for limiting the extent of charge reduction in a controlled fashion and allows for ions distributed over a range of charge states to be concentrated into fewer charge states (a single charge state under optimal conditions). As charge reduction inherently leads to an increase in the mass-to-charge (<em>m/z</em>) ratio of the ions, it is important that the means for storing and analyzing ions be able to accommodate ions of high <em>m/z</em> ratios. The so-called ‘digital ion trap’ (DIT), which uses a digital waveform as the trapping RF, has been demonstrated to be well-suited for the analysis of high <em>m/z</em> ions by taking advantage of its ability to manipulate the waveform frequency. In this study, the feasibility of ion parking in a 3D quadrupole ion trap operated as a DIT using a slow-amplitude single-frequency sine-wave for selective inhibition of an ion/ion reaction is demonstrated. A recently described model that describes ion parking has been adjusted for the DIT case and is used to interpret experimental data for proteins ranging in mass from 8600 Da to 467,000 Da.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"503 ","pages":"Article 117282"},"PeriodicalIF":1.6,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141482314","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}
引用次数: 0
Branching ratio in the photodissociation of (C6H5NH2)+-H2O–H218O (C6H5NH2)+-H2O-H218O光解过程中的支化率
IF 1.6 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-06-24 DOI: 10.1016/j.ijms.2024.117283
Bong Gyu Jeong, Hyun Wook Choi, Jae Kyu Song, Seung Min Park
{"title":"Branching ratio in the photodissociation of (C6H5NH2)+-H2O–H218O","authors":"Bong Gyu Jeong,&nbsp;Hyun Wook Choi,&nbsp;Jae Kyu Song,&nbsp;Seung Min Park","doi":"10.1016/j.ijms.2024.117283","DOIUrl":"https://doi.org/10.1016/j.ijms.2024.117283","url":null,"abstract":"<div><p>Molecular systems including clusters often manifest multiple photodissociation pathways upon absorption of photon energy enough to break down chemical bonds. This certainly raises fundamental questions to chemists: which pathway will be most favored and how can we predict it with precision? To address these issues, we had previously introduced a rather crude but highly simplified and straightforward calculation method, Rice-Ramsperger-Kassel-Marcus (RRKM) calculation method complemented by the concept of <em>extreme</em> loose transition state (eLTS). This approach has proven effective in estimating branching ratios in photodissociation of C<sub>6</sub>H<sub>4</sub>BrCl<sup>+</sup>. Here, we have extended this method to interpret results in IR photodissociation of (C<sub>6</sub>H<sub>5</sub>NH<sub>2</sub>)<sup>+</sup>-H<sub>2</sub>O–H<sub>2</sub><sup>18</sup>O for further evaluation and refinement of this method. We compared branching ratios derived from RRKM-eLTS with those obtained via phase-space theory (PST) to find that our calculation results through RRKM-eLTS were quite in line with the experimental data while those from PST calculation fluctuated significantly depending on the calculation levels and basis sets. This indicates that RRKM-eLTS model not only aligns well with experimental observations giving insights into the relevant rate constants but also intuitively explains these results. We, hereby, suggest that RRKM-eLTS model is a robust and user-friendly method for computing branching ratios, with possible applications to other molecular systems.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"503 ","pages":"Article 117283"},"PeriodicalIF":1.6,"publicationDate":"2024-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141482313","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}
引用次数: 0
Hydration energies of calcium hydroxide cation, CaOH+(H2O)x (x = 1–6), studied using guided ion beam tandem mass spectrometry 利用引导离子束串联质谱法研究氢氧化钙阳离子 CaOH+(H2O)x(x = 1-6)的水合能
IF 1.6 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-06-24 DOI: 10.1016/j.ijms.2024.117284
Fan Yang, P.B. Armentrout
{"title":"Hydration energies of calcium hydroxide cation, CaOH+(H2O)x (x = 1–6), studied using guided ion beam tandem mass spectrometry","authors":"Fan Yang,&nbsp;P.B. Armentrout","doi":"10.1016/j.ijms.2024.117284","DOIUrl":"https://doi.org/10.1016/j.ijms.2024.117284","url":null,"abstract":"<div><p>Hydration energies of CaOH<sup>+</sup>(H<sub>2</sub>O)<sub><em>x</em></sub>, <em>x</em> = 1–6, were obtained using threshold collision-induced dissociation (TCID) with xenon (Xe) as conducted with a guided ion beam tandem mass spectrometer (GIBMS). The primary reaction pathway observed for all complexes is the loss of one water ligand, followed by the loss of additional water molecules at higher collision energies for <em>x</em> &gt; 1. The kinetic-energy-dependent cross sections for dissociation of CaOH<sup>+</sup>(H<sub>2</sub>O)<sub><em>x</em></sub> complexes were modeled to obtain 0 K binding energies after accounting for lifetime effects, energy distributions, and pressure effects. Except for <em>x</em> = 5, experimental threshold energies measured through TCID agree well with theoretical hydration energies determined using B3LYP/6-311+G(d,p) structure geometries followed by single point energies calculated at B3LYP, B3P86, M06, and MP2(full) levels of theory with a 6-311+G(2d,2p) basis set. B3LYP-GD3BJ and ωB97XD calculations were also used, with the former yielding results having the best agreement with the threshold energies extracted from the analysis of the TCID cross sections.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"503 ","pages":"Article 117284"},"PeriodicalIF":1.6,"publicationDate":"2024-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141539552","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}
引用次数: 0
Structural characterizations of histidine-containing tripeptides complexed with zinc and cadmium dications using IRMPD spectroscopy and theoretical calculations 利用 IRMPD 光谱和理论计算确定含组氨酸三肽与锌和镉阳离子络合的结构特征
IF 1.6 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-06-19 DOI: 10.1016/j.ijms.2024.117281
Samantha K. Walker , Brandon C. Stevenson , Fan Yang , Roland M. Jones III , Giel Berden , Jonathan Martens , Jos Oomens , P.B. Armentrout
{"title":"Structural characterizations of histidine-containing tripeptides complexed with zinc and cadmium dications using IRMPD spectroscopy and theoretical calculations","authors":"Samantha K. Walker ,&nbsp;Brandon C. Stevenson ,&nbsp;Fan Yang ,&nbsp;Roland M. Jones III ,&nbsp;Giel Berden ,&nbsp;Jonathan Martens ,&nbsp;Jos Oomens ,&nbsp;P.B. Armentrout","doi":"10.1016/j.ijms.2024.117281","DOIUrl":"https://doi.org/10.1016/j.ijms.2024.117281","url":null,"abstract":"<div><p>Metalated gas-phase complexes, M<sup>2+</sup>(HisAlaAla), M<sup>2+</sup>(AlaHisAla), and M<sup>2+</sup>(AlaAlaHis), where M = Zn and Cd, were examined using infrared multiple photon dissociation (IRMPD) spectroscopy with light from a free-electron laser (FEL). These complexes were chosen because they provide model systems for metal binding to proteins. Complementary simulated annealing calculations were performed to determine energetically low-lying conformers and isomers of these structures. Quantum chemical calculations were used to optimize the structures at the B3LYP level of theory using 6-311+G(d,p) and def2-TZVP basis sets for zinc and cadmium complexes, respectively. IRMPD and calculated linear absorption spectra were compared to evaluate which structures are present. Relative energies of the various species were evaluated using single-point energy calculations for low-lying structures at the B3LYP, B3P86, and MP2(full) levels using 6-311+G(2d,2p) and def2-TZVPP basis sets. For species with histidine at a terminal position (AAH or HAA), the conformations that best reproduce the IRMPD spectra are charge-solvated (CS) conformers, where the metal dication binds to the amine and carbonyl groups of the peptide backbone and to the nitrogen of the histidine side chain, along with contributions from an iminol structure for AAH. The species with the histidine in the center position (AHA) adopt an iminol structure, where the metal dication binds to the backbone iminol nitrogens, the α-amine, π-imine, and the carbonyl of the C-terminus.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"503 ","pages":"Article 117281"},"PeriodicalIF":1.6,"publicationDate":"2024-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141482291","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}
引用次数: 0
Laser desorption mass spectrometry of rubrene and photodissociation of its cation 红芘的激光解吸质谱分析及其阳离子的光解离
IF 1.6 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-06-19 DOI: 10.1016/j.ijms.2024.117280
Ian J. Webster, Joshua H. Marks, Michael A. Duncan
{"title":"Laser desorption mass spectrometry of rubrene and photodissociation of its cation","authors":"Ian J. Webster,&nbsp;Joshua H. Marks,&nbsp;Michael A. Duncan","doi":"10.1016/j.ijms.2024.117280","DOIUrl":"https://doi.org/10.1016/j.ijms.2024.117280","url":null,"abstract":"<div><p>Laser desorption mass spectrometry was employed to study rubrene using three different sample preparation methods. Pressed-pellet and films drop-cast from solution were investigated with a laser-desorption time-of-flight spectrometer. Jet-cooled rubrene cations were produced in a supersonic molecular beam by laser desorption from a film-coated metal rod and detected with time-of-flight mass spectrometry. The films for this process were produced by vacuum sublimation of powder samples. The mass spectra from each of these samples contained the parent molecular ion and fragments resulting from phenyl ring elimination - a pattern similar to that produced by electron impact ionization. The amount of fragmentation varied with sample preparation and desorption laser wavelength. The rubrene cation was mass selected and studied with UV laser photodissociation at 355 nm. The resulting fragmentation mass spectrum indicated the loss of one or two phenyl groups, but no more than this. Computational studies of the ion energetics were used to investigate the stable fragment ion structures and understand the energetics of the dissociation process.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"503 ","pages":"Article 117280"},"PeriodicalIF":1.6,"publicationDate":"2024-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141444629","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}
引用次数: 0
Exploration of metallic interferences pertinent to nuclear safeguards related uranium isotope ratio measurement on the Neoma MC-ICP-MS platform without the MS/MS option 探索在 Neoma MC-ICP-MS 平台上进行与核保障相关的铀同位素比值测量有关的金属干扰(无 MS/MS 选项
IF 1.8 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-06-15 DOI: 10.1016/j.ijms.2024.117278
N. Alex Zirakparvar, Benjamin T. Manard, Daniel R. Dunlap, Brian Ticknor, Matt Darnell, Shalina C. Metzger, Cole R. Hexel
{"title":"Exploration of metallic interferences pertinent to nuclear safeguards related uranium isotope ratio measurement on the Neoma MC-ICP-MS platform without the MS/MS option","authors":"N. Alex Zirakparvar,&nbsp;Benjamin T. Manard,&nbsp;Daniel R. Dunlap,&nbsp;Brian Ticknor,&nbsp;Matt Darnell,&nbsp;Shalina C. Metzger,&nbsp;Cole R. Hexel","doi":"10.1016/j.ijms.2024.117278","DOIUrl":"10.1016/j.ijms.2024.117278","url":null,"abstract":"<div><p>In this paper we present basic observations regarding the formation and effect of various polyatomic metallic interferences (combinations of Pb, Al, Si, Mo, W, Fe, Sn, Ti, Ba, and Pt) on uranium isotopic ratios measured via a new Multi Collector – Inductively Coupled Plasma – Mass Spectrometer (MC-ICP-MS) platform: The ThermoFisher Scientific™ Neoma® (without the MS/MS® collision cell option). Our approach is to dope a uranium isotopic standard (IRMM-2020) with various quantities of the metallic elements, all of which have been previously identified as posing isobaric interferences during uranium isotope measurement, and then perform analyses in solution mode and by laser ablation (LA) MC-ICP-MS. As expected, there is considerable variability between the different elementally doped solution and the degree of perturbation exhibited by the uranium isotope standard. However, Pt appears to induce the most drastic shift for <sup>234</sup>U/<sup>238</sup>U, <sup>235</sup>U/<sup>238</sup>U, and <sup>236</sup>U/<sup>238</sup>U. One unexpected result is that the presence of Pb, whether alone or in combination with Al and Si, appears to result in a reduction of the expected uranium signal. This effect was observed (and re-confirmed using a different cup configuration) on the Neoma® MC-ICP-MS during wet plasma analysis, but was not observed during dry plasma conditions (e.g. laser ablation sampling of dried IRMM-2020 containing Pb). Furthermore, the phenomenon was also not observed during dry plasma analysis on a NeptunePlus®. Further experiments will be necessary to fully understand the origin of this signal attenuation, and the results of our study highlight the need for continued investigation of the polyatomic interference issue as new MC-ICP-MS platforms are developed since our results clearly demonstrate that they can drastically skew the observed isotope ratios in sometimes unexpected directions. Lastly, the use of N<sub>2</sub> during LA sampling appears to slightly increase the magnitude of the interferences compared to when only Ar is utilized as the carrier gas. This observation further highlights the importance of plasma conditions on interference formation.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"503 ","pages":"Article 117278"},"PeriodicalIF":1.8,"publicationDate":"2024-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1387380624000897/pdfft?md5=1eadfe7cd5e50520b7b7e30131012274&pid=1-s2.0-S1387380624000897-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141394589","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}
引用次数: 0
Solvation effects on the chemistry of the gas-phase O•−(H2O)n and OH−(H2O)n cluster ions with molecular oxygen and carbon dioxide 溶解对气相 O--(H2O)和 OH-(H2O)簇离子与分子氧和二氧化碳化学性质的影响
IF 1.6 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-06-15 DOI: 10.1016/j.ijms.2024.117279
Jozef Lengyel , Milan Ončák , Martin K. Beyer
{"title":"Solvation effects on the chemistry of the gas-phase O•−(H2O)n and OH−(H2O)n cluster ions with molecular oxygen and carbon dioxide","authors":"Jozef Lengyel ,&nbsp;Milan Ončák ,&nbsp;Martin K. Beyer","doi":"10.1016/j.ijms.2024.117279","DOIUrl":"10.1016/j.ijms.2024.117279","url":null,"abstract":"<div><p>Ion-molecule reactions in the gas phase are significantly influenced by hydration. Here we investigate the impact of hydration on the reactivity of two atmospherically relevant anions, O<sup>•−</sup> and OH<sup>−</sup>, with oxygen and carbon dioxide. A mixture of hydrated anions O<sup>•−</sup>(H<sub>2</sub>O)<sub><em>n</em></sub> and OH<sup>−</sup>(H<sub>2</sub>O)<sub><em>n</em></sub>, <em>n</em> &lt; 60, is prepared in a laser vaporization source and reacted in a temperature-controlled ICR cell with O<sub>2</sub> and CO<sub>2</sub>. While OH<sup>−</sup>(H<sub>2</sub>O)<sub><em>n</em></sub> does not react with O<sub>2</sub>, formation of hydrated ozonide O<sub>3</sub><sup>•−</sup>(H<sub>2</sub>O)<sub><em>m</em></sub> is observed in the reaction of O<sup>•−</sup>(H<sub>2</sub>O)<sub><em>n</em></sub> with O<sub>2</sub> for all studied cluster sizes. The reaction slows down with increasing cluster size, which compromises nanocalorimetry. Quantum chemical calculations show that ozonide formation is exothermic with Δ<em>E</em><sub>0</sub> = −52 kJ mol<sup>−1</sup> for <em>n</em> ≈ 7–11, while O<sub>2</sub> is very weakly bound to OH<sup>−</sup>(H<sub>2</sub>O)<sub><em>n</em></sub>. Observation of such a non-covalent (O<sub>2</sub>)OH<sup>−</sup>(H<sub>2</sub>O)<sub><em>m</em></sub> complex in a mass spectrometer might be possible at significantly lower temperatures than accessible in our experiment. For CO<sub>2</sub>, we observe reactions only in a narrow size regime, up to <em>n</em> ≈ 8 for O<sup>•−</sup>(H<sub>2</sub>O)<sub><em>n</em></sub> and <em>n</em> ≈ 6 for OH<sup>−</sup>(H<sub>2</sub>O)<sub><em>n</em></sub>, to form CO<sub>3</sub><sup>•−</sup>(H<sub>2</sub>O)<sub><em>m</em></sub> and HCO<sub>3</sub><sup>−</sup>(H<sub>2</sub>O)<sub><em>m</em></sub>, respectively. Calculations render both reactions substantially exothermic also for larger clusters, ruling out thermochemistry as an explanation for the size-dependent reactivity.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"503 ","pages":"Article 117279"},"PeriodicalIF":1.6,"publicationDate":"2024-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1387380624000903/pdfft?md5=ad6fbaab25301d1de8f442a04ae36a46&pid=1-s2.0-S1387380624000903-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141400578","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}
引用次数: 0
Comparative evaluation of uranium isotope ratios by peak-jumping and static multi-collector measurements in thermal ionization mass spectrometry 通过热电离质谱中的跳峰测量和静态多收集器测量对铀同位素比率进行比较评估
IF 1.6 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-06-12 DOI: 10.1016/j.ijms.2024.117277
Masao Nomura , Ki Chul Park , Hiroaki Takahashi , Takehiko Tsukahara
{"title":"Comparative evaluation of uranium isotope ratios by peak-jumping and static multi-collector measurements in thermal ionization mass spectrometry","authors":"Masao Nomura ,&nbsp;Ki Chul Park ,&nbsp;Hiroaki Takahashi ,&nbsp;Takehiko Tsukahara","doi":"10.1016/j.ijms.2024.117277","DOIUrl":"10.1016/j.ijms.2024.117277","url":null,"abstract":"<div><p>The <sup>235</sup>U/<sup>238</sup>U isotope ratios of uranium standard reference materials and an environmental uranium sample recovered from seawater were measured by thermal ionization mass spectrometry using the single-collector peak-jumping and static multi-collection modes. All the <sup>235</sup>U/<sup>238</sup>U isotope ratios measured in the peak-jumping mode were systematically lower than the values obtained in the static measurements. The lowering of the measured isotope ratios became more remarkable with the decrease in the <sup>235</sup>U isotopic abundance, resulting in the maximum 2.2‰-lower value comparable to isotope mass fractionation. The lowering of isotope ratios is not due to the apparent loss of <sup>235</sup>U ion currents caused by the time constant of the Faraday amplifier used but attributable to the actual decrease of ion currents by ion-beam changes in the mass switching step of peak-jumping mode. Furthermore, the proper collection of ion beams to the Faraday cup was achieved by allowing sufficient delay time for eliminating the effect of ion-beam changes, which was significantly longer than the time needed for the response of the amplifiers.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"503 ","pages":"Article 117277"},"PeriodicalIF":1.6,"publicationDate":"2024-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141403372","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}
引用次数: 0
Assessing the matrix effects on MALDI-MS in the positive and negative ion mode detection for protein-protected metal nanoclusters 评估基质对 MALDI-MS 正负离子模式检测蛋白质保护金属纳米团簇的影响
IF 1.8 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-06-11 DOI: 10.1016/j.ijms.2024.117276
Hao Yuan , Djibril Lima , Clothilde Comby-Zerbino , Charlène Bouanchaud , Fabien Chirot , Dipankar Bain , Sanjun Zhang , Rodolphe Antoine
{"title":"Assessing the matrix effects on MALDI-MS in the positive and negative ion mode detection for protein-protected metal nanoclusters","authors":"Hao Yuan ,&nbsp;Djibril Lima ,&nbsp;Clothilde Comby-Zerbino ,&nbsp;Charlène Bouanchaud ,&nbsp;Fabien Chirot ,&nbsp;Dipankar Bain ,&nbsp;Sanjun Zhang ,&nbsp;Rodolphe Antoine","doi":"10.1016/j.ijms.2024.117276","DOIUrl":"https://doi.org/10.1016/j.ijms.2024.117276","url":null,"abstract":"<div><p>Protein-protected metal nanoclusters (MNCs) represent a new class of highly photoluminescent nanomaterials that have wide applications. Suitable reaction conditions combining protein and metal precursors can produce a vast range of different NC sizes (i.e. different number of metal atoms). The average number of metal atoms per protein can be determined by mass spectrometry (MS). MS coupled with matrix-assisted laser desorption ionization (MALDI) presents a number of advantages such as detection with high sensitivity of nanoclusters with high molecular weights. Although many protein-protected MNCs have been characterized by MALDI-MS, a large dispersion in the number of metal atoms has been reported mainly due to sample preparation. In this work, we optimized the protocols for negative and positive ion detection mode as a general MALDI-MS sample preparation method for protein-protected MNCs (bovine serum albumin and lysozyme and with gold and silver). Negative and positive ion mode detection was compared, showing that negative ion mode detection in MALDI-MS can also be used with acidic matrices. Obvious matrix effects on ion signals and peak positions by MALDI-MS were observed. The average metal numbers of MNCs embedded in proteins are different depending on the MALDI matrix. The matrix effects give a warning for more serious consideration on MALDI-MS measurement and spectra analysis of MNCs.</p></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"503 ","pages":"Article 117276"},"PeriodicalIF":1.8,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1387380624000873/pdfft?md5=da1673cdc19530b2c19cbb1dc3f0e5c8&pid=1-s2.0-S1387380624000873-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141302577","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}
引用次数: 0
Electron interactions with beryllium and its hydrides 铍及其氢化物的电子相互作用
IF 1.8 3区 化学
International Journal of Mass Spectrometry Pub Date : 2024-05-31 DOI: 10.1016/j.ijms.2024.117269
Ashok Chaudhari , Harshad Bhutadia , Smruti Parikh , Minaxi Vinodkumar , Chetan Limbachiya
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