Ryan M Danell

Danell Consulting, Inc

Rationale Characterization of Regolith And Trace Economic Resources (CRATER), an Orbitrap™‐based laser desorption mass spectrometry instrument designed to conduct high‐precision, spatially resolved analyses of planetary materials, is capable of answering outstanding science questions about the Moon's formation and the subsequent processes that have...

The highly compact Linear Ion Trap Mass Spectrometer (LITMS), developed at NASA Goddard Space Flight Center, combines Mars-ambient laser desorption-mass spectrometry (LD-MS) and pyrolysis-gas chromatography-mass spectrometry (GC-MS) through a single, miniaturized linear ion trap mass analyzer. The LITMS instrument is based on the Mars Organic Molec...

Studies of psychrophilic life on Earth provide chemical clues as to how extraterrestrial life could maintain viability in cryogenic environments. If living systems in ocean worlds (e.g., Enceladus) share a similar set of 3-mer and 4-mer peptides to the psychrophile Colwellia psychrerythraea on Earth, spaceflight technologies and analytical methods...

Laser desorption mass spectrometry (LDMS) enables in situ characterization of the organic content and chemical composition of planetary materials without requiring extensive sample processing. Coupled with an Orbitrap analyser capable of ultrahigh mass-resolving powers and accuracies, LDMS techniques facilitate the orthogonal detection of a wide ra...

A machine learning approach for analyzing data from the Mars Organic Molecule Analyzer (MOMA) instrument has been developed in order to improve the accuracy and efficiency of this analysis and serves as a case study for the use of machine learning tools for space missions. MOMA is part of the science payload aboard the ExoMars rover, Rosalind Frank...

The Europan Molecular Indicators of Life Investigation (EMILI) is an instrument concept being developed for the Europa Lander mission currently under study. EMILI will meet and exceed the scientific and technical/resource requirements of the organic composition analyzer identified as a core instrument on the Lander. EMILI tightly couples two comple...

We use Mars Organic Molecule Analyzer engineering model data to develop mass-spectrometry-focused machine learning techniques. Initial results show that the preliminary categorization could permit autonomous operations, such as prioritizing example data and decisions about retuning parameters for specific samples.

NASA's Dragonfly mission will send a rotorcraft lander to the surface of Titan to investigate the prebiotic chemistry, habitability, and potential presence of chemical biosignatures on Saturn’s largest moon. One of the key analytical instruments onboard is the Dragonfly Mass Spectrometer (DraMS) that will perform detailed chemical analyses of the T...

The influence of mass spectrometry is far‐reaching! In this issue of the Journal of Mass Spectrometry, Authors Arevalo, Ni and Danell describe the rich history and promising future applications of the mass spectrometer in the investigation of planetary bodies. Mass analyzers sent into space and deployed to planetary bodies are inherently different...

Since the inception of mass spectrometry more than a century ago, the field has matured as analytical capabilities have progressed, instrument configurations multiplied, and applications proliferated. Modern systems are able to characterize volatile and nonvolatile sample materials, quantitatively measure abundances of molecular and elemental speci...

The Europan molecular indicators of life investigation (EMILI) is an instrument investigation designed to address the top science objectives of a future Europa lander mission, such as documented by the recent Europa Lander Science Definition Team (SDT). EMILI seeks to detect and characterize potential organic molecular biosignatures, which may be p...

The Mars Organic Molecule Analyzer (MOMA) instrument onboard the ESA/Roscosmos ExoMars rover (to launch in July, 2020) will analyze volatile and refractory organic compounds in martian surface and subsurface sediments. In this study, we describe the design, current status of development, and analytical capabilities of the instrument. Data acquired...

A limitation of conventional quadrupole ion trap scan modes which use rf amplitude control for mass scanning is that, in order to detect a subset of an ion population, the rest of the ion population must also be interrogated. That is, ions cannot be detected out of order; they must be detected in order of either increasing or decreasing mass-to-cha...

The Mars Organic Molecule Analyzer (MOMA), a dual-source, ion trap-based instrument capable of both pyrolysis-gas chromatography mass spectrometry (pyr/GC-MS) and laser desorption/ionization mass spectrometry (LDI-MS), is the core astrobiology investigation on the ExoMars rover. The MOMA instrument will be the first spaceflight mass analyzer to exp...

The use of coded apertures in mass spectrometry can break the trade-off between throughput and resolution that has historically plagued conventional instruments. Despite their very early stage of development, coded apertures have been shown to increase throughput by more than one order of magnitude, with no loss in resolution in a simple 90-degree...

This paper describes strategies to search for, detect, and identify organic material on the surface and subsurface of Mars. The strategies described include those applied by landed missions in the past and those that will be applied in the future. The value and role of ESA's ExoMars rover and of her key science instrument Mars Organic Molecule Anal...

Miniaturizing instruments for spectroscopic applications requires the designer to confront a tradeoff between instrument resolution and instrument throughput [and associated signal-to-background-ratio (SBR)]. This work demonstrates a solution to this tradeoff in sector mass spectrometry by the first application of one-dimensional (1D) spatially cod...

The Mars Organic Molecule Analyzer (MOMA) investigation is a key astrobiology experiment scheduled to launch on the joint ESA-Roscosmos ExoMars 2018 rover mission. MOMA will examine the chemical composition of geological samples acquired from depths of up to two meters below the martian surface, where fragile organic molecules may be protected from...

Evidence from recent Mars missions indicates the presence of perchlorate salts up to 1 wt % level in the near-surface materials. Mixed perchlorates and other oxychlorine species may complicate the detection of organic molecules in bulk martian samples when using pyrolysis techniques. To address this analytical challenge, we report here results of l...

In mass spectrometer design, there has been a historic belief that there exists a fundamental trade-off between instrument size, throughput, and resolution. When miniaturizing a traditional system, performance loss in either resolution or throughput would be expected. However, in optical spectroscopy, both one-dimensional (1D) and two-dimensional (...

Conventionally, quadrupole ion trap mass spectrometers eject ions of different mass-to-charge ratio (m/z) in a sequential fashion by performing a scan of the rf trapping voltage amplitude. Due to the inherent sparsity of most mass spectra, the detector measures no signal for much of the scan time. By exploiting this sparsity property, we propose a...

The Mars Organic Molecule Analyzer (MOMA) investigation on the 2018 ExoMars rover mission is shown to meet performance requirements and is on track for delivery.

The 2018 joint ESA-Roscosmos ExoMars rover mission will seek the signs of past or present life in the near-surface environment of Mars. The rover will obtain samples from as deep as two meters beneath the surface and deliver them to an onboard analytical laboratory for detailed examination. The Mars Organic Molecule Analyzer (MOMA) investigation fo...

MALDI imaging allows the creation of a "molecular image" of a tissue slice. This image is reconstructed from the ion abundances in spectra obtained while rastering the laser over the tissue. These images can then be correlated with tissue histology to detect potential biomarkers of, for example, aberrant cell types. MALDI, however, is known to have...

We present details on the objectives, requirements, design, and operational approach of the core mass spectrometer of the Mars Organic Molecule Analyzer (MOMA) investigation on the 2018 ExoMars mission. The MOMA mass spectrometer enables the investigation to fulfill its objective of analyzing the chemical composition of organic compounds in solid s...

A continuously operated dual polarity dual nanoelectrospray ionization source has been constructed and tested. A commercial quadrupole ion trap mass spectrometer was modified to accumulate and trap ions of opposite charge. All changes to the commercial three-dimensional quadrupole ion trap have been made external to the instrument outside of the va...

A multiplexed tandem mass spectrometry (MS/MS) technique known as iterative accumulation multiplexing (IAM) has been implemented on a hybrid quadrupole Fourier transform ion cyclotron resonance mass spectrometer (Q-FTICR-MS). The IAM experiment resulted in obtaining MS/MS spectra for six analytes in two MS/MS experiments while characteristic resolv...

The temporal response of pulsed nano-electrospray ionization mass spectrometry (nano-ESI-MS) was studied and its influence on ion formation and detection was characterized. Rise and decay times for the mass resolved ion current were determined to be 20 ± 3 msec and 61 ± 5 msec, respectively, which led to a maximum pulse rate of 12 Hz. Pulsed nano-E...

A novel algorithm based on Data Self-Recalibration and a subsequent Mixture Mass Fingerprint search (DASER-MMF) has been developed to improve the performance of protein identification from online 1D and 2D-LC-MS/MS experiments conducted on high-resolution mass spectrometers. Recalibration of 40% to 75% of the MS spectra in a human serum dataset is...

With unmatched mass resolution, mass accuracy, and exceptional detection sensitivity, Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS) has the potential to be a powerful new technique for high-throughput metabolomic analysis. In this study, we examine the properties of an ultrahigh-field 12-Tesla (12T) FTICR-MS for the identif...

d‐novl is a Monte Carlo program designed to generate a null expectation of overlap between two niche‐based distribution models. The user may choose between two growth algorithms: the separated algorithm grows a random number of disjointed growth areas, whereas the number of islands algorithm allows the user to input the desired number of growth are...

Trapped ion electron diffraction measurements on silver cluster cations, Agn+ for sizes n=36–46,55 at ∼120 K describe an evolution in structural symmetry with increasing cluster size. Diffraction patterns characterize fivefold symmetry at smaller sizes which evolves to icosahedral symmetry at n=55. Low energy isomer structures were identified by st...

The dynamics of biomolecule conformations in gas phase have been studied by applying methods which measure laser-induced fluorescence from trapped ions. The fraying of duplex terminal base pairs has been identified by measuring the donor fluorescence as a function of temperature from an oligonucleotide duplex labeled with a pair of FRET dyes. The d...

Four new helical oligoproline assemblies containing 16, 17, 18, and 19 proline residues and ordered arrays of a Ru(II)-bipyridyl chromophore and a phenothiazine electron-transfer donor have been synthesized in a modular fashion by solid-phase peptide synthesis. These arrays are illustrated and abbreviated as CH(3)CO-Pro(6)-Pra(PTZ)-Pro(n)()-Pra(Ru(...

The performance of quadrupole ion traps using argon or air as the buffer gas was evaluated and compared to the standard helium only operation. In all cases a pure buffer gas, not mixtures of gases, was investigated. Experiments were performed on a Bruker Esquire ion trap, a Finnigan LCQ, and a Finnigan ITMS for comparison. The heavier gases were fo...

The development and performance of an electrically tunable compensated cylindrical ion trap (CCIT) mass spectrometer during an experiment were analyzed. A custom CCIT mass spectrometer was built to allow for the implementation of higher order fields during an experimental step. Trapping electrodes, for this system, consisted of two mesh covered end...

With the increasing use of ion cyclotron resonance (ICR) for tandem mass spectrometry (MS/MS) analysis of biomolecules, surface-induced dissociation (SID) should be given serious consideration as an ion activation technique. There are at least two compelling reasons to consider SID: it can deposit significant amounts of internal energy into large i...

The synthesis of a new electron transfer donor and two new ruthenium chromophores are described based on coupling to derivatized proline residues for the purpose of constructing molecular assemblies capable of undergoing photoinduced electron transfer.