Estimation of effective ion temperatures in a quadrupole ion trap

Gronert, Scott

doi:10.1016/s1044-0305(98)00055-5

Cited by 241 publications

(266 citation statements)

References 16 publications

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“…The containment of the ESI source in ar adiological glove box enables handling of highly radioactive isotopes such as 242 Pu, 243 Am, 249 Bk and 249 Cf. [36] Additionally,i ons in the trap can undergo ion-molecule reactions for af ixed time at % 300 K. [37] In high resolution mode, the instrument has ad etection range of 50-2200 m/z and ar esolution M/DMo f % 3000. Mass spectra were acquired using the following instrumental parameters:s olution flow rate, 60 mlmin À1 ;n ebulizer gas pressure, 12 psi;c apillary voltage and current, 4350 V, 50.0 nA;e nd plate voltage offset and current, À500 V, 275 nA;d ry gas flow rate, 3lmin À1 ;d ry gas temperature, 325 8C; capillary exit, 300.0 V; skimmer,4 0.5 V; octopole 1a nd 2D C, 16.5 Vand 0.0 V; octopole RF amplitude, 104 V pp ;l ens 1a nd 2, À100.0 Va nd À10.5 V; trap drive, 52.…”

Section: Methodsmentioning

confidence: 99%

Remarkably High Stability of Late Actinide Dioxide Cations: Extending Chemistry to Pentavalent Berkelium and Californium

Dau

Vasiliu

Peterson

et al. 2017

Chemistry A European J

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Section: Methodsmentioning

confidence: 99%

Remarkably High Stability of Late Actinide Dioxide Cations: Extending Chemistry to Pentavalent Berkelium and Californium

Dau

Vasiliu

Peterson

et al. 2017

Chemistry A European J

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“…In the case of constant electron affinity, reaction exothermicity increases directly with RE. (Note that there is experimental and theoretical support for minimal internal heating of polyatomic ions by the electrodynamic field of the ion trap, provided that they are not stored close to a stability boundary [67][68][69][70][71].Å TheÅ kineticÅ energiesÅ ofÅ theÅ ionsÅ comeÅ intoÅ play in the model via the relative velocity term in relation 2. When comparing the relative partitioning between ion/ ion reaction channels, the relative velocity term tends to cancel because it is present for all channels.…”

Section: Qualitative Trends In Product Partitioningmentioning

confidence: 99%

Gas-phase ion/ion reactions of transition metal complex cations with multiply charged oligodeoxynucleotide anions

Barlow

Hodges

Xia

et al. 2008

J. Am. Soc. Mass Spectrom.

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Multiply deprotonated hexadeoxyadenylate anions, (A 6 ϪnH) nϪ , where n ϭ 3-5, have been subjected to reaction with a range of divalent transition-metal complex cations in the gas phase. The cations studied included the bis-and tris-1,10-phenanthroline complexes of Cu II , Fe II , and Co II , as well as the tris-1,10-phenanthroline complex of Ru II . In addition, the hexadeoxyadenylate anions were subjected to reaction with the singly charged Fe III and Co III N,N=-ethylenebis(salicylideneiminato) complexes. The major competing reaction channels are electron-transfer from the oligodeoxynucleotide anion to the cation, the formation of a complex between the anion and cation, and the incorporation of the transition-metal into the oligodeoxynucleotide. The latter process proceeds via the anion/cation complex and involves displacement of the ligand(s) in the transition-metal complex by the oligodeoxynucleotide. Competition between the various reaction channels is governed by the identity of the transition-metal cation, the coordination environment of the metal complex, and the oligodeoxynucleotide charge state. In the case of the divalent metal phenanthroline complexes, competition between electron-transfer and metal ion incorporation is particularly sensitive to the coordination number of the reagent metal complexes. Both electron-transfer and metal ion incorporation occur to significant extents with the bis-phenanthroline ions, whereas the trisphenanthroline ions react predominantly by metal ion incorporation. To our knowledge this work reports the first observations of the gas-phase incorporation of multivalent transition-metal cations into oligodeoxynucleotide anions and represents a means for the selective incorporation of transition-metal counter-ions into gaseous oligodeoxynucleotides. [6 -8] have allowed the formation of gas-phase ions of biopolymers, including oligodeoxynucleotides (ODNs), making these ions amenable to study by mass spectrometry. Like peptides and proteins, ODNs are amphoteric, [9] allowing formation of either positively or negatively charged ions. Formation of negatively charged oligonucleotides is quite facile using ESI and, as a result, negatively charged ODN ions have been the most widely studied [9]. Oligodeoxynucleotide ions with bound metals formed by MALDI or ESI, especially those containing transition metals, have shown fragmentation behavior, which is distinct and complementary to that of ions devoid of metals [6 -8].The study of the interaction of transition metals with DNA is of critical importance, given the variety of roles such interactions fulfill. Transition-metal complexes display nuclease activity and consequently complexes such as (methidium-propyl-EDTA)iron(II) have been utilized as footprinting agents [10]. Ruthenium(II) complexes have been extensively examined as spectroscopic probes of local DNA structure [11,12]. The mechanism of action of the chemotherapeutic agent cisplatin involves binding to DNA to prevent replication [13][14][15]. Mass spectrometry has been u...

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“…H/D exchange in the QIT is complementary to FT-ICR exchange because the QIT exchange reagent pressure is about four orders of magnitude greater, although exchange time is practically limited to less than 1 min. The instrument was modified to accommodate H/D exchange reactions as described by Gronert [38]. In this system, D 2 O is mixed with the helium flow gas and introduced into the instrument.…”

Section: Ion Trap H/d Exchangementioning

confidence: 99%

Fragmentation of doubly-protonated peptide ion populations labeled by H/D exchange with CD3OD

Herrmann

Kuppannan

Wysocki

2006

International Journal of Mass Spectrometry

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Doubly-protonated bradykinin (RPPGFSPFR) and an angiotensin III analogue (RVYIFPF) were subjected to hydrogen/deuterium (H/D) exchange with CD 3 OD in a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. A bimodal distribution of deuterium incorporation was present for bradykinin after H/D exchange for 90 s at a CD 3 OD pressure of 4 × 10 −7 Torr, indicating the existence of at least two distinct populations. Bradykinin ion populations corresponding to 0-2 and 5-11 deuteriums (i.e., D 0 , D 1 , D 2 , D 5 , D 6 , D 7 , D 8 , D 9 , D 10 , and D 11 ) were each monoisotopically selected and fragmented via sustained off-resonance irradiation (SORI) collision-induced dissociation (CID). The D 0 -D 2 ion populations, which correspond to the slower exchanging population, consistently require lower SORI amplitude to achieve a similar precursor ion survival yield as the faster-reacting (D 5 -D 11 ) populations. These results demonstrate that conformation/ protonation motif has an effect on fragmentation efficiency for bradykinin. Also, the partitioning of the deuterium atoms into fragment ions suggests that the C-terminal arginine residue exchanges more rapidly than the N-terminal arginine. Total deuterium incorporation in the b 1 /y 8 and b 2 /y 7 ion pairs matches very closely the theoretical values for all ion populations studied, indicating that the ions of a complementary pair are likely formed during the same fragmentation event, or that no scrambling occurs upon SORI. Deuterium incorporation into the y 1 /a 8 pseudo-ion pair does not closely match the expected theoretical values. The other peptide, doubly-protonated RVYIFPF, has a trimodal distribution of deuterium incorporation upon H/D exchange with CD 3 OD at a pressure of 1 × 10 −7 Torr for 600 s, indicating at least three distinct ion populations. After 90 s of H/D exchange where at least two distinct populations are detected, the D 0 -D 7 ion populations were monoisotopically selected and fragmented via SORI-CID over a range of SORI amplitudes. The precursor ion survival yield as a function of SORI amplitude falls into two distinct behaviors corresponding to slower-and faster-reacting ion populations. The slower-reacting population requires larger SORI amplitudes to achieve the same precursor ion survival yield as the faster exchanging population. Total deuterium incorporation into the y 2 /b 5 ion pairs matches closely the theoretical values over all ion populations and SORI amplitudes studied. This result indicates the y 2 and b 5 ions are likely formed by the same mechanism over the SORI amplitudes studied.

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Estimation of effective ion temperatures in a quadrupole ion trap

Cited by 241 publications

References 16 publications

Remarkably High Stability of Late Actinide Dioxide Cations: Extending Chemistry to Pentavalent Berkelium and Californium

Remarkably High Stability of Late Actinide Dioxide Cations: Extending Chemistry to Pentavalent Berkelium and Californium

Gas-phase ion/ion reactions of transition metal complex cations with multiply charged oligodeoxynucleotide anions

Fragmentation of doubly-protonated peptide ion populations labeled by H/D exchange with CD3OD

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