01 Kahoot! Interactive Trivia on LC-MS Related Topics
LCMS & Related Topics Interest Group
Presiding: Erik Soderblom; James Dodd
Need a break from formal talks? Already an expert in LC-MS and want to impress your friends? Not an expert and want to learn something about LC-MS? Just like interactive trivia games where you compete against a room of like-minded people? Well, this workshop is for you! Kahoots! is a real-time trivia based game in which you use your personal handheld devices (phone/tablet) to answer fun trivia questions. Anonymized attendee's points are updated in real time and displayed for the entire audience after each question - the race is on! Although the Kahoot! board has been refreshed from ASMS 2019, the LC-MS and Related Topics Interest Group Workshop will remain focused on various aspects of Proteomics, Pharmacokinetics, Metabolomics, Laboratory Automation, and Increasing Sample Throughput. Following each question, audience-driven comments/thoughts/considerations will be encouraged. Will it be Yellow Goat, Skunky Salamander, or YOU that takes home the grand prize this year - come and find out at LC-MS Kahoots!
02 Machine Learning: How Is It Enhancing Mass Spectrometry?
Presiding: Gaurav Chopra
Recent advances in machine learning and artificial intelligence (AI) are revolutionizing the human/technology interface. Mass spectrometry (MS) is a powerful analytical tool that is extensively used for characterization of substances and mixtures across many fields, such as chemistry, biology, pharmaceuticals, petroleum, etc. Machine learning tools are emerging to support autonomous science, in which critical decision-making on experimental design is conducted by algorithms rather than by human intervention. This shift from automation to autonomation is enabled by rapid advances in data science and deep neural networks. We will discuss several questions with selected 5 minutes of overview presented by experts in the field: How machine learning/AI algorithms is enhancing MS autonomation? Does machine learning/AI enhance analysis of ion-molecule reactions, ion-ion reactions, multiple reaction monitoring, nano-DESI, proteomics, metabolomics, lipidomics, etc.? How does chemical representation affect MS analysis and results? What are the current challenges in MS methods that machine learning/AI can and cannot address? Is it possible to develop an autonomous methodology that can be easily implemented into commercial mass spectrometers with only minor instrument modifications? Can we develop machine learning methods that are understandable by human chemists for decision making? Are there specific deep learning architectures that work better than others for identifying structure from spectra? Do we need MS scientists trained in data science to handle the exponential increase in data obtained using mass spectrometry? Our workshop will address revolutionary changes in data science and artificial intelligence that may result in new opportunities at the interface between data and MS based measurement science.
03 Cross-linking Mass Spectrometry: Basic Strategies and Biological Applications
Presiding: Lan Huang
Room 201 ABC
Cross-linking mass spectrometry (XL-MS) is a powerful and emergent technology for interactomics and structural proteomics. In comparison with other MS-based structural tools, XL-MS is unique owing to its capability of simultaneously capturing protein-protein interactions (PPIs) from their native environments and uncovering interaction contacts, thus permitting the determination of both identity and connectivity of PPIs in cells. The identified cross-links can be used to generate protein interaction networks and to elucidate architectures of protein complexes through computational modeling. Recent advancements of XL-MS technologies have made experimental workflows reliable and robust for systems-wide analysis. The availability of cross-linking reagents, instrumentation and software enables XL-MS experiments accessible to a broad research community. This workshop will serve as an educational forum to cover various aspects of XL-MS technologies, experimental strategies, data analysis and biological applications in protein structural analysis. In addition, current status and future perspectives will be presented to benefit both newcomers and experienced researchers. Ample time will be allocated for questions and answers including an opportunity for novices/students to contribute anonymous questions on fundamentals.
05 Advances in High Throughput Sample Preparation for Quantitative Mass Spectrometry-based Studies
Presiding: Pankaj Dwivedi
Room 102 AB
The field of quantitative proteomics and metabolomics is moving towards high throughput-based automated sample preparation, this workshop will provide a platform to discuss new advances as well as development in this field.
The major sections which will be discussed in this workshop are as follows:
(1) How does proteomics and metabolomics sample preparation affect the overall MS data quality?
(2) What are new advances in sample preparation using automation?
(3) Advantages and disadvantages of automated sample preparation (high throughput) compared to the traditional low throughput workflows.
(4) Recent developments in the field of TMT based quantitative proteomics.
Presentation Topics include:
- Quantitative Proteomics in Low Volume Samples; Bhagwat Prasad (Washington State University)
- Multiplicative increase in the sensitivity and throughput of data independent acquisition; Nikolai Slavov (Northeastern University)
- Enabling large-scale proteomics studies through parallelization, automatization and quality management; Christoph Messner (Biognosys)
- TMT isobaric labeling and real-time search MS 3 methodologies for proteome quantitative analysis; Qin Fu (Cornell University)
- Serum metabolomics analysis reveals novel biomarkers and pathways for effectiveness of Benfotiamine inAlzheimer’s disease; Ruchika Bhawal (Cornell University)
06 Analysis of High MW Polymers
Polymeric Materials Interest Group
Presiding: Jessica Hoskins; Thierry Fouquet
Room 103 ABC
This year's meeting will consist of three distinct sections: a workshop, poster elevator-talks, and an open forum.
To begin, we will have a short tutorial session on mass spectrometry of large (>>10 kDa) polymers. This topic was chosen based on feedback from last year's polymeric materials workshop participants and will be structured to encourage interactive discussion within the group.
Second, we will host an open series of short (3-5 min each) promotions of polymer related posters by any presenters who wish to highlight their work to the workshop's specialized audience.
The workshop will conclude with an open forum in which attendees are invited to bring up any polymer-related issues or questions that they would like help with. In addition, input will be sought for future Polymer Workshop topics.
07 Building and Implementing Effective DEI Initiatives in the Laboratory Space
Presiding: ASMS Diversity and Inclusion Committee: Candice Ulmer (Chair), Jennifer Campbell, Saiful Chowdhury, Dominic Gostick, Carlos Larriba Andaluz, Richard Yost (ASMS Board Rep.)
Room 104 AB
Recently, we’ve witnessed academic institutions, industries, and government agencies actively striving to create a supportive, diverse, equitable, and inclusive environment for laboratorians. However, despite these grand efforts, many scientific organizations, laboratory groups, and workplaces still struggle with recognizing implicit bias and microaggressions, recruiting/retaining students and employees, designing effective DEI training tools, and implementing corrective actions for issues encountered. Nevertheless, laboratory environments do exist where scientists are encouraged to be supportive, inclusive, and appreciative of diversity, which has resulted in their increased productivity, creative innovations, and varied perspectives while developing solutions to complex problems. As a result, topics discussed during this workshop will include effective and noneffective strategies for implementing DEI in the workplace, implications of a lack of diversity, allyship, and much more. Attendees will participate in a facilitated discussion by a panel of speakers leading the DEI effort in various laboratories and academic institutions. This interactive workshop is designed to provoke discussion from laboratorians in all sectors of the workforce, including undergraduate and graduate students.
08 MS Career Options: How to Kick Start Your Career
Young Mass Spectrometrists Interest Group
Presiding: Laura Sanchez; Christopher Rose
Room 108 AB
The Young Mass Spectrometrists workshop focuses on a panel discussion where representatives of various careers paths discuss their journey to their current position and answer questions regarding their current and past experiences. Through this discussion mass spectrometrists at the undergrad, graduate, or postdoctoral stage of their career learn information or strategies that will help them navigate the next steps in their career. This panel typically comprises representatives from academia, biotech/pharma, start-up companies, government, and non-traditional career paths to provide a comprehensive view of career opportunities for young researches who have mass spectrometry skills. In addition to a large group discussion with the panel - we will also have breakout groups where attendees will have the ability to interact with the representative of their choosing in a smaller group format.
09 Single-Cell Proteomics: From Sample Preparation to Data Analysis
Presiding: Ying Zhu; Ryan Kelly
Room 109 AB
There is growing interest in extending LC-MS-based bottom-up proteomics analysis to single cells. Single-cell proteomics can reveal critical insights on biological systems that are masked in bulk-scale proteomics, including diverse cell populations and subpopulations, cell developmental trajectories, and tissue microenvironments. However, because of the orders-of-magnitude reduction in sample input for single cells relative to bulk-scale proteomics, the comprehensive characterization of the single-cell proteome is still immature and confronts many technical challenges. These challenges include but are not limited to cell isolation, sample preparation, LC separation, MS measurement, data analysis and visualization. As such, all procedures must be carefully optimized and new technologies are needed to advance this field.
In realizing these challenges and great opportunities, we propose to organize the single-cell proteomics workshop. There are three main aims: (1) We will invite the leading scientists to provide an update of technology advances and biological applications in the field; (2) These talks will also serve as tutorials with the aim to reduce technical barriers and to disseminate the developed technologies; (3) We will discuss and summarize the remaining technical challenges and encourages more scientists to join this field. At the end of the workshop, we will hold a roundtable discussion among panelists to answer the questions from attendees, and discuss the formation of a single-cell proteomics interest group to promote collaborations.
Presenter/Panelists: Alexey I. Nesvizhskii (University of Michigan), Jennifer Van Eyk (Cedars-Sinai Medical Center), Yiran Liang (Brigham Young University), and Nikolai Slavov (Northeastern University)
10 Teaching Mass Spectrometry: What are the Essential Skills and Concepts that Students Need to Learn at the Undergraduate Level?
Undergraduate Research in MS Interest Group
Presiding: Matt Joyner
Room 110 AB
Teaching mass spectrometry to undergraduates can be a challenging task. There is often not a single, dedicated course devoted to teaching mass spectrometry at the undergraduate level, leaving instructors the task of integrating essential training related to mass spectrometry in different courses at different institutions. Research in chemical education indicates that helping students differentiate between concepts and skills can significantly enhance student learning. Research in educational psychology also shows that experts often perform many non-obvious or hidden steps when problem solving that can be difficult for the expert to explain and even more difficult for students to learn. In this workshop, we will utilize the shared experience and wisdom of workshop participants to identify essential concepts and skills needed for teaching mass spectrometry to undergraduate students. Participants will also have the opportunity to share pedagogical approaches that enhance student learning. This workshop will be designed to be highly interactive and incorporate input from participants to generate practically useful guidance for enhancing teaching of mass spectrometry at the undergraduate level.
11 Visualization of Mass Spectrometry Related Data
Bioinformatics MS Interest Group
Presiding: Arzu Tugce Guler; Claire O'Donovan
Room 111 AB
Data visualization is an effective way of exploring and presenting complex mass spectrometry data. Visualization is essential not only for quality checks and observation of trends, but also for quick and clear communication of findings from the data. Almost all vendor analysis software come with data visualization capabilities and many third party analysis tools support visualization of mass spectrometry data in native vendor format and/or in one of the open data formats. It is usually possible with these software to visualize the results of the data analysis well, for instance as heat maps and volcano plots. With the wider applicability of mass spectrometry in different fields and experimental setups, external visualization tools and packages are also being used to add or highlight relevant information on top of conventional MS data visualizations. This workshop will focus on conventional and sophisticated visualization techniques and tools for mass spectrometry related data. We will give some up-to-date, concrete examples from mass spectrometry-based proteomics and metabolomics. We aim this workshop to be interactive, so that the attendees can brainstorm what kind of techniques and tools they could use for their own data while conforming to good data visualization practices.
12 Enhancing Environmental Applications with Tandem Ion Mobility Mass Spectrometry
Environmental Applications Interest Group
Presiding: Andrew Ottens; Paul Chiarelli; Pierangela Palma
Room 113 ABC
A recent proliferation of commercial tandem ion mobility mass spectrometers has sparked growth in their application to environmental analyses. Collision cross section measures provide complementary selectivity to resolve complex mixtures and aid in species differentiation and identification. This workshop will explore the introduction of ion mobility into environmental MS analyses across varied sectors from isomeric differentiation of pollutants in drinking water, structural characterization of oil fractions, to providing wider analyte coverage in environmental health outcomes research. The topic will be introduced through data-blitz presentations by early-career scientists to be followed by a discussion led by panelists with relevant expertise. A primary goal is to stimulate thoughts and share recent experience implementing ion mobility into analytical workflows. Additional points of discussion are likely to include libraries for collisional cross section data, software for handling ion mobility data, and other issues relevant to the wider implementation of the technology in environmental MS fields.
13 Top-down Mass Spectrometry Data Visualization and Identification Using TopMSV
Presiding: Xiaowen (Kevin) Liu; Liangliang Sun; Si Wu
Top-down mass spectrometry (MS) has gained increasing attention in the past decade because of its capability to sequence whole proteoforms with post-translational modifications (PTMs) and other alterations. Although many computational methods have been developed for top-down MS data analysis, it is still challenging for MS labs to efficiently identify and quantify proteoforms because of the complexity of the data and methods. TopMSV is a web-based tool for top-down MS data processing and visualization. It integrates software tools for spectral deconvolution and proteoform identification and uses analysis results of the tools to annotate top-down MS data. It provides various 2D and 3D views for top-down MS data visualization. Researchers can use TopMSV to quickly explore LC profiles, LC-MS maps, MS and MS/MS spectra, and spectral deconvolution and proteoform identification results. We will give tutorials on TopMSV and TopPIC suite for proteoform identification and quantification as well as the application of the tools to various research problems. We will discuss with users and collect their feedback and suggestions for further improvement of the tools.