Characterization of Electrospray Ionization (ESI) Parameters on In-ESI Hydrogen/Deuterium Exchange of Carbohydrate-Metal Ion Adducts

Liyanage, O. Tara; Brantley, Matthew R.; Calixte, Emvia I.; Solouki, Touradj; Shuford, Kevin L.; Gallagher, Elyssia S.

doi:10.1007/s13361-018-2080-1

Cited by 27 publications

(68 citation statements)

References 79 publications

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“…The RL profile of our mixture, containing high di-RL proportions, explains the chemical basis of the obtained relatively high CMC value. Similar results were reported by Liyanage et al( 2019 ) who showed that a high di-RLs proportion in their mixtures lead to higher CMC values.…”

Section: Discussionsupporting

confidence: 91%

Structural and Physicochemical Characterization of Rhamnolipids produced by Pseudomonas aeruginosa P6

El-Housseiny¹,

Aboshanab²,

Aboulwafa

et al. 2020

AMB Expr

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Rhamnolipids are important biosurfactants for application in bioremediation, enhanced oil recovery, pharmaceutical, and detergent industry. In this study, rhamnolipids extracted from P. aeruginosa P6 were characterized to determine their potential fields of application. Thin-layer chromatographic analysis of the produced rhamnolipids indicated the production of two homologues: mono- and di-rhamnolipids, whose structures were verified by 1H and 13C nuclear magnetic resonance spectroscopy. Additionally, high performance liquid chromatography-mass spectrometry identified seven different rhamnolipid congeners, of which a significantly high proportion was di-rhamnolipids reaching 80.16%. Rha-Rha-C10-C10 was confirmed as the principal compound of the rhamnolipid mixture (24.30%). The rhamnolipids were capable of lowering surface tension of water to 36 mN/m at a critical micelle concentration of 0.2 g/L, and exhibited a great emulsifying activity (E24 = 63%). In addition, they showed excellent stability at pH ranges 4–8, NaCl concentrations up to 9% (w/v) and temperatures ranging from 20 to 100 °C and even after autoclaving. These results suggest that rhamnolipids, produced by P. aeruginosa P6 using the cheap substrate glycerol, are propitious for biotechnology use in extreme and complex environments, like oil reservoirs and hydrocarbon contaminated soil. Moreover, P. aeruginosa P6 may be considered, in its wild type form, as a promising industrial producer of di-RLs, which have superior characteristics for potential applications and offer outstanding commercial benefits.

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Section: Discussionsupporting

confidence: 91%

Structural and Physicochemical Characterization of Rhamnolipids produced by Pseudomonas aeruginosa P6

El-Housseiny¹,

Aboshanab²,

Aboulwafa

et al. 2020

AMB Expr

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“…Enriching the source with D 2 O leads to increased deuteration (Figure B and SI Figures S15–S18). Moreover, although there is still a linear relationship between the centroid mass and the solution D 2 O content, the data is not consistent anymore with a defined number of solution-exchanging sites, highlighting the presence of in-ESI exchange . However, the number of exchanged sites does not change when increasing the source H 2 O partial vapor pressure.…”

Section: Resultsmentioning

confidence: 74%

Native Hydrogen/Deuterium Exchange Mass Spectrometry of Structured DNA Oligonucleotides

Largy

Gabelica

2020

Anal. Chem.

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Although solution hydrogen–deuterium exchange mass spectrometry (HDX/MS) is well-established for the analysis of the structure and dynamics of proteins, it is currently not exploited for nucleic acids. Here we used DNA G-quadruplex structures as model systems to demonstrate that DNA oligonucleotides are amenable to in-solution HDX/MS in native conditions. In trimethylammonium acetate solutions and in soft source conditions, the protonated phosphate groups are fully back-exchanged in the source, while the exchanged nucleobases remain labeled without detectable back-exchange. As a result, the exchange rates depend strongly on the secondary structure (hydrogen bonding status) of the oligonucleotides, but neither on their charge state nor on the presence of nonspecific adducts. We show that native mass spectrometry methods can measure these exchange rates on the second to the day time scale with high precision. Such combination of HDX with native MS opens promising avenues for the analysis of the structural and biophysical properties of oligonucleotides and their complexes.

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“…(2) shows excellent correlation between D SD parameters and concentration of the analyte in solution (r > 0.999 [6].) Looking at the complexity of the ESI-MS processes [104] the later chemometric parameters clearly show that our innovative model equations appear prominent and indispensable tools for a successful bridging the gap of knowledge among measurable outcomes of mass spectrometric experiments, experimental factors and parameters such as concentration of the anatyete in solution and temperature and molecular structure and properties of the analyte, respectively.…”

Section: Discussionmentioning

confidence: 99%

Electrospray ionization mass spectrometric solvate cluster and multiply charged ions: a stochastic dynamic approach to 3D structural analysis

Ivanova

Spiteller

2020

SN Appl. Sci.

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The data analyzed in this paper are on quantitative and 3D structural determination of ionic ensembles and multiply charged solvates ions of type [(Cl)(H 2 O) x (H 3 O) y (CH 3 CN) z ] + , [(Cl)(O 2) x (CH 3 OH) y (NH 4) z ] + , [(O 2) x (H 2 O)(H 3 O)(CH 3 CN)] + n and [(Cl) (H 2 O) 2 (H 3 O)(CH 3 CHN 2)] + observable under electrospray ionization conditions in presence of Zn II-ion containing metalorganics, where x = y = z = 1-3 are the number of molecules, respectively, ions participating into each of the interacting ensemble, while "n" denotes the number of interacting ensembles forming the more complex ionic clusters. The major theoretical problem we have to deal with is the applicability of our more recently developed stochastic dynamic concept and formulas connecting among the mass spectrometric variable intensity, the so-called stochastic dynamic diffusion parameters (D SD), the temperature (T) and the analyte concentration in solution to such challenging molecular/ionic systems from the perspective of molecular structure. The D SD parameters of analyte ions correlate linearly with the socalled quantum chemical diffusion parameters (D QC) according to the Arrhenius's theory. The work has demonstrated persuasively that these equations are capable of providing reliable analytical information about so complex ensembles of interacting species. It shows their significant advantages as analytical approaches, amongst other rival concepts, to quantify the mass spectrometric outcome intensity highly accurately, selectively, precisely and sensitively. The thermodynamics parameters of common reactions of the following ionic species observable under electrospray ionization experimental conditions of some tetrachlrozinc(II) complex ions of metal-organics are examined. These are the ions [(Cl) (H 2 O)(H 3 O) 2 (CH 3 CN) 3 ] + (m/z 214/216), [(Cl)(H 2 O)(H 3 O) 2 (CH 3 CN) 2 ] + (m/z 173/175), [(Cl)(H 2 O) 2 (H 3 O) 2 (CH 3 CN)] + (m/z 150/152), [(Cl)(H 2 O)(H 3 O) 2 (CH 3 CHNH] + (m/z 134/136,) [(Cl)(H 2 O) 2 (H 3 O)(CH 3 CHNH 2 ] + , [(Cl)(H 2 O)(H 3 O) 2 (CH 3 CN] + (m/z 132/134,) [(Cl) (H 2 O) 2 (H 3 O) 2 (CH 3 CN] + (m/z 183/185), [(CH 3 OH)(H 2 O) 5 (NH 4)(CH 3 CN) 3 ] + 3 (m/z 263,) and [(CH 3 OH)(H 2 O)(H 3 O)(CH 3 CN)] + 31 (m/z 110,) respectively.

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Characterization of Electrospray Ionization (ESI) Parameters on In-ESI Hydrogen/Deuterium Exchange of Carbohydrate-Metal Ion Adducts

Cited by 27 publications

References 79 publications

Structural and Physicochemical Characterization of Rhamnolipids produced by Pseudomonas aeruginosa P6

Structural and Physicochemical Characterization of Rhamnolipids produced by Pseudomonas aeruginosa P6

Native Hydrogen/Deuterium Exchange Mass Spectrometry of Structured DNA Oligonucleotides

Electrospray ionization mass spectrometric solvate cluster and multiply charged ions: a stochastic dynamic approach to 3D structural analysis

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