• Mass Spectrometry Letters
• /
• v.4 no.1
• /
• pp.21-23
• /
• 2013

The effects of trifluoroacetic acid (TFA) were evaluated on the generation of multiply charged ions of cytochrome c in a 2-nitrophloroglucinol (2-NPG) matrix in high-vacuum, matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS). The presence of 1% TFA in the 2-NPG matrix solution was more effective in generating multiply charged protein ions than matrix solutions containing 0.1% or 0% TFA. Regarding the matrix itself, with 1% TFA, 2-NPG was significantly more effective in generating multiply charged ions than 2,5-dihydroxybenzoic acid (2,5-DHB). The maximum charge state of cytochrome c was +8 when using a 2-NPG matrix containing 1% TFA.

• Bulletin of the Korean Chemical Society
• /
• v.16 no.11
• /
• pp.1015-1019
• /
• 1995

The electronic structures and properties of the neutral and multiply charged C60n ions (n=2+ to 6-) with spin states have been investigated by semi-empirical MNDO calculations. In the ground state, C601- has the lowest total energy and the highest binding energy. The neutral C60 ion is supposed to have a high ionization potential and a high electron affinity. The HOMO and LUMO positions are lower in the cationic C60 than in the anionic C60. The LUMO energy becomes increasingly positive from C601- to C606- and the HOMO energy becomes increasingly negative from C602+ to C60. The HOMO-LUMO gap of the neutral C60 ion is higher than that of the multiply charged C60 ions. From the HOMO-LUMO gap, it seems reasonable to expect that electrons of the multiply charged C60 ions will be more polarizable than those of the neutral C60 ion. The HOMO and LUMO energies increase as the negative charge increases.

• Journal of the Korean Chemical Society
• /
• v.41 no.3
• /
• pp.117-122
• /
• 1997

On the basis of our previous paper[Bull. Korean Chem. Soc. 1995, 16, 1015], the relative stability, ionization potential, and chemical reaction of the neutral and multiply charged $C_{60}$n ions(n=3+ to 6-) have been investigated by the semi-empirical MNDO method. $C_{60}^{1-}$ has the highest stability. The ionization potential values of the $C_{60}$ ions range from 15.31 eV of $C_{60}^{2+}$ to -13.01 eV of $C_{60}^{6-}$. These values show a linear relationship according to charges. The average IP per charge is 3.15 eV from our calculations and 3.22 eV from the linear function of IP. A charge- or electron-transfer reaction of $C_{60}^{n+}$ will only occur if the ionization potential of any guest molecule is lower than the electron affinity of the host $C_{60}^{n+}$. If the energy gap between ionization potential and electron affinity, ${\Delta}_{IP-EA}$, is high, charge-transfer reactions arise by the charge-controlled effect. However, if ${\Delta}_{IP-EA}$ is low, electron-transfer reactions arise by the frontier-controlled effect.

• Mass Spectrometry Letters
• /
• v.12 no.4
• /
• pp.179-185
• /
• 2021

Collision-induced dissociation (CID) combined with electrospray ionization mass spectrometry (ESI-MS) was used to obtain structural information on rat islet amyloid polypeptide (rIAPP) monomers (M) and dimers (D) observed in the multiply charged state in the MS spectrum. MS/MS analysis indicated that the rIAPP monomers adopt distinct structures depending on the molecular ion charge state. Peptide bond dissociation between L₂₇ and P₂₈ was observed in the MS/MS spectra of rIAPP monomers, regardless of the monomer molecular ion charge state. MS/MS analysis of the dimers indicated that D⁵⁺ comprised M²⁺ and M³⁺ subunits, and that the peptide bond dissociation process between the L₂₇ and P₂₈ residues of the monomer subunit was also maintained. The observation of (M+ b₂₇)⁴⁺ and (M+ y₁₀)³⁺ fragment ions were deduced to originate from the two different D⁵⁺ complex geometries, the N-terminal and C-terminal interaction geometries, respectively. The fragmentation pattern of the [M_rIAPP + M_hIAPP]⁵⁺ MS/MS spectrum showed that the interaction occurred between the two N-terminal regions of M_rIAPP and M_hIAPP in the heterogeneous dimer (hetero-dimer) D⁵⁺ structure.