Experimental and numerical investigations of under-expanded gas flows for optimal operation of a novel multipole differential ion mobility filter in the first vacuum-stage of a mass spectrometer

Papanastasiou, Dimitris; Kounadis, Diamantis; Orfanopoulos, I.; Lekkas, Alexandros; Zacharos, Athanasios; Raptakis, E.; Gini, Maria I.; Eleftheriadis, Konstantinos; Nikolos, Ioannis K.

doi:10.1016/j.ijms.2021.116605

Cited by 6 publications

(3 citation statements)

References 46 publications

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“…The bacteria are then immediately attracted by the second stage, a capillary at 10 mbar that is heated at 150 °C to fully desolvate the microdroplets and to prevent sticking of bacteria to the internal wall of the capillary. The charged particles at the exit of the heated capillary come into the aerolens system comprising a long capillary followed by two consecutive skimmers 37 . Numerical simulations by the finite element method (FEM) show that the cells slow-down in the capillary from supersonic speeds (600-700 m/s) up to tens of m/s, achieving laminar flow (Fig.…”

Section: Resultsmentioning

confidence: 99%

High-throughput determination of dry mass of single bacterial cells by ultrathin membrane resonators

et al. 2022

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How bacteria are able to maintain their size remains an open question. Techniques that can measure the biomass (dry mass) of single cells with high precision and high-throughput are demanded to elucidate this question. Here, we present a technological approach that combines the transport, guiding and focusing of individual bacteria from solution to the surface of an ultrathin silicon nitride membrane resonator in vacuum. The resonance frequencies of the membrane undergo abrupt variations at the instants where single cells land on the membrane surface. The resonator design displays a quasi-symmetric rectangular shape with an extraordinary capture area of 0.14 mm2, while maintaining a high mass resolution of 0.7 fg (1 fg = 10−15 g) to precisely resolve the dry mass of single cells. The small rectangularity of the membrane provides unprecedented frequency density of vibration modes that enables to retrieve the mass of individual cells with high accuracy by specially developed inverse problem theory. We apply this approach for profiling the dry mass distribution in Staphylococcus epidermidis and Escherichia coli cells. The technique allows the determination of the dry mass of single bacterial cells with an accuracy of about 1% at an unparalleled throughput of 20 cells/min. Finally, we revisit Koch & Schaechter model developed during 60 s to assess the intrinsic sources of stochasticity that originate cell size heterogeneity in steady-state populations. The results reveal the importance of mass resolution to correctly describe these mechanisms.

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Section: Resultsmentioning

confidence: 99%

High-throughput determination of dry mass of single bacterial cells by ultrathin membrane resonators

et al. 2022

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“…For testing of high-mass non-covalent protein complexes (i.e. Hb and GroEL) at the European XFEL facility, the module is mounted together with an upstream Ion-Transfer-Interface (ITI) module [35] of the MS SPIDOC prototype [6,7] preceded by a static nanoESI source [36]. The 10 μM is buffer exchanged into 100 mM ammonium acetate (pH 8.0, Sigma-Aldrich, 99.999% trace metals basis) by two cycles of Micro BioSpin P-6 gel filtration (Bio-Rad).…”

Section: Resultsmentioning

confidence: 99%

Commissioning the digital mass-filter/ion-trap module for the MS SPIDOC prototype

Simke,

Fischer,

Damjanović

et al. 2023

J. Inst.

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The combination of a linear quadrupole ion-filter and linear Paul trap operated with a rectangular guiding field for the filtering and accumulation of ions within the Mass Spectrometry for Single Particle Imaging of Dipole Oriented protein Complexes (MS SPIDOC) prototype [T. Kierspel et al., Anal. Bioanal. Chem., published online] is characterized. Using cationic caesium-iodide clusters, the ion-separation performance, ion accumulation, cooling, and ejection via in-trap pin electrodes is evaluated. Furthermore, proof-of-principle measurements are performed with 64 kDa multiply-charged non-covalent protein complexes of human hemoglobin and 804 kDa non-covalent complex of GroEL, to demonstrate that the module meets the criteria to handle high-mass ions which are the main objective of the MS SPIDOC project. The setup's performance is found to be in line with previous results from ion-trajectory simulations [F. Simke et al., Int. J. Mass Spectrom. 473 (2022) 116779].

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“…The first module that has been modeled was the ITI, which is composed of the aerolens™ [ 11 ], the ion funnel, a combined octapolar/quadrupolar ion guide, and a hexapole. The aerolens is designed to increase the transmission efficiency during the transport of ions into the gas phase.…”

Section: Results: Ion Trajectory Simulationsmentioning

confidence: 99%

Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC

et al. 2023

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MS SPIDOC is a novel sample delivery system designed for single (isolated) particle imaging at X-ray Free-Electron Lasers that is adaptable towards most large-scale facility beamlines. Biological samples can range from small proteins to MDa particles. Following nano-electrospray ionization, ionic samples can be m/z-filtered and structurally separated before being oriented at the interaction zone. Here, we present the simulation package developed alongside this prototype. The first part describes how the front-to-end ion trajectory simulations have been conducted. Highlighted is a quadrant lens; a simple but efficient device that steers the ion beam within the vicinity of the strong DC orientation field in the interaction zone to ensure spatial overlap with the X-rays. The second part focuses on protein orientation and discusses its potential with respect to diffractive imaging methods. Last, coherent diffractive imaging of prototypical T = 1 and T = 3 norovirus capsids is shown. We use realistic experimental parameters from the SPB/SFX instrument at the European XFEL to demonstrate that low-resolution diffractive imaging data (q < 0.3 nm−1) can be collected with only a few X-ray pulses. Such low-resolution data are sufficient to distinguish between both symmetries of the capsids, allowing to probe low abundant species in a beam if MS SPIDOC is used as sample delivery.

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Experimental and numerical investigations of under-expanded gas flows for optimal operation of a novel multipole differential ion mobility filter in the first vacuum-stage of a mass spectrometer

Cited by 6 publications

References 46 publications

High-throughput determination of dry mass of single bacterial cells by ultrathin membrane resonators

High-throughput determination of dry mass of single bacterial cells by ultrathin membrane resonators

Commissioning the digital mass-filter/ion-trap module for the MS SPIDOC prototype

Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC

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