Mass Spectrometry of Glutamic Acid and Glutamine in the Gas Phase

Zavilopulo, A. N.; Bulhakova, A. I.

doi:10.1134/s1063785019120290

Cited by 10 publications

(8 citation statements)

References 10 publications

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“…As one can see, the experimental curves and the fitting results correlate well with one another, which made it possible to determine the ionization energies (poten-tials) for the parent molecules: = 8.64 ± 0.25 eV for Gln and = 8.86 ± 0.25 eV for Glu-Acid (see Table 2). It should be noted that the presented values turned out slightly lower-by 0.16 and 0.04 eV, respectively-than the values reported by us earlier in work [33]. This discrepancy appeared, because the refined values were obtained with the help of additional experimental data and making the fitting procedure better.…”

Section: Energy Dependences Of the Relative Total Cross-sections For The Positive Ion Formationcontrasting

confidence: 54%

“…In work [37], the thermal stability of amino acid molecules was considered. In work [33], the influence of the temperature on the vapor of glutamic acid molecules was analyzed, and the assumption was proposed about their decomposition into the pyroglutamic acid (C 5 H 7 NO 3 ) and water (H 2 O) molecules at temperatures above 385 K.…”

Section: Temperature Dependencesmentioning

confidence: 99%

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Іонізація Електронами Молекул Глютамінової Кислоти Та Глютаміну

Zavilopulo

Demes²,

Remeta

et al. 2021

Ukr. J. Phys.

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Проведено комплекснi (експериментальнi i теоретичнi) дослiдження виходу позитив-них iонiв молекул глютамiнової кислоти (Glu-Acid) i глютамiну (Gln) в газовiй фазi, утворених в результатi дисоцiативної iонiзацiї цих амiнокислот електронним ударом. Експеримент проводився на установцi з монопольним мас-спектрометром ти-пу MX-7304A в дiапазонi масових чисел 10–150 Da. Дослiджено мас-спектри молекул глютамiнової кислоти i глютамiну при рiзних температурах, динамiку виходу iонiв-фрагментiв в iнтервалi температур випаровування вихiдної речовини 310–430 К та детально проаналiзовано особливостi процесiв утворення iонiв-фрагментiв таких молекул електронним ударом. Проведено ab initio розрахунки потенцiалiв iонiзацiї глютамiнової кислоти i глютамiну в адiабатичному наближеннi та за енергiями зв’язку HOMO- i LUMO-орбiталей нейтральних молекул. Отримано сумарнi перерiзи одноелектронної iонiзацiї обох молекул електронним ударом в Binary-Encounter-Bethe моделi та за формулою Гризiнського. Показано, що розрахованi молекулярнi константи добре узгоджуються з отриманими експериментальними даними.

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Section: Energy Dependences Of the Relative Total Cross-sections For The Positive Ion Formationcontrasting

confidence: 54%

Section: Temperature Dependencesmentioning

confidence: 99%

Іонізація Електронами Молекул Глютамінової Кислоти Та Глютаміну

Zavilopulo

Demes²,

Remeta

et al. 2021

Ukr. J. Phys.

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show abstract

“…As can be seen, four groups of lines, in which the highest intensity belongs to ions with m/z = 28, 42, 56 and 72, respectively, are clearly distinguished in the MS. The peak of the parent ion (m/z = 117) is practically absent in the spectrum, which is characteristic of the mass spectra of aliphatic amino acids [19] and is due to the low stability of the molecular ion formed during the ionization. Typically for most α-amino acids, the main channel of dissociation of the valine molecule under electron impact is due to the rupture of the C-Cα bond, which results in the formation of an ion with mass m/z = 72 due to the detachment of a neutral carboxyl group COOH (Fig.…”

Section: Mass Spectramentioning

confidence: 99%

Ionization and fragmentation of valine molecules in the gas phase by electron impact

et al. 2021

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Formation of fragment ions due to single and dissociative ionization of the valine molecule (C5H11NO2) by electrons was studied by mass spectrometry. This is the first experimental massspectrometric measurement of total cross-section in arbitrary units of the valine molecule ionization by electron impact. The experiment was carried out using a setup with an MX-7304A monopole mass spectrometer in the range of mass numbers of 0-120 Da. Mass spectra of the molecules were studied at different vapor temperatures. The results obtained were compared with the mass spectra of the D-, L-, and DL-enantiomeric forms of the valine molecule taken from NIST and SDBS databases. The features of the processes of fragment ion formation of valine molecules by electron impact were analyzed in detail. Dynamics of the fragment ion yield in the range of the initial substance evaporation temperatures of 300-440 K was studied. The ionization potential of the valine molecule was measured (8.72 ± 0.22 eV) and calculated ab initio in the adiabatic approximation (9.367 eV). The ionization potential was estimated from the binding energy of the HOMO orbital of the neutral molecule. This is the first calculation of the single ionization cross section of the D-, DL-, and L-forms of this molecule in the Binary-Encounter-Bethe model and using the Gryzinski formula. The experimental cross section values at the threshold are normalized by the theoretical values in absolute units.

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“…Studies of various processes of interaction of lowenergy (slow) electrons with molecules that are part of DNA and RNA are of particular interest. These processes are a subject of intensive research [6][7][8][9][10]. It should be noted that secondary electron emission, which is the result of the primary interaction of electrons with a molecule, plays an important role in the mechanism of radiation damage to DNA.…”

Section: Introductionmentioning

confidence: 99%

Excitation of L-valine molecules by electrons and photons

et al. 2022

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Graphical abstract Excitation of L-valine molecules was studied by optical spectroscopy. Optical emission spectra of the L-valine molecule and optical excitation functions of molecular bands and the H β spectral line were measured in the gas phase using electron impact. In the spectra of optical emission in the wavelength range of 250–500 nm, intense emission bands were found at energies of incident electrons of 30, 50 and 70 eV. Analysis of structural features of the valine molecule suggested a fragmentation scheme with the formation of excited particles in collisions with electrons. A notable feature of the presented optical excitation functions is a different growth dynamics with an increase in the energy of exciting electrons and the presence of a number of features and kinks, which are especially pronounced for λ = 305 nm and λ = 311 nm. The excitation thresholds were determined from the initial sections of the excitation functions of the most intense spectral lines by the least-squares method. The photoluminescence spectra of L-valine were measured for the first time on a Shimadzu RF-6000 spectrofluorophotometer in the spectral range of 400–800 nm for excitation wavelengths of 250, 275, 333, 351, and 380 nm.

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Mass Spectrometry of Glutamic Acid and Glutamine in the Gas Phase

Cited by 10 publications

References 10 publications

Іонізація Електронами Молекул Глютамінової Кислоти Та Глютаміну

Іонізація Електронами Молекул Глютамінової Кислоти Та Глютаміну

Ionization and fragmentation of valine molecules in the gas phase by electron impact

Excitation of L-valine molecules by electrons and photons

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