2024 Annual Meeting

2024 Annual CAID Meeting

November 6th - 8th, 2024

Registration for the 16^th annual Center for Analytical Instrument Development (CAID) event is now open! The CAID event is free and open to everyone!

How it works?

The 16^th annual CAID event will take place November 6 – 8^th at Purdue University (West Lafyette, IN). A total of eleven workshops will be presented across this three-day event. The CAID event is an immersive experience for users who will benefit from the active learning and hands-on demonstrations involving analytical instrumentation and methods used by research groups at Purdue University. Participants will be able to select which workshop(s) they wish to participate in, each lasting a duration of 20 minutes. The location of these workshops will take place on the Purdue University campus at the H.C. Brown Laboratory of Chemistry (BRWN), Hall for Discovery and Learning Research (DLR), Bindley Bioscience Center (BIND), and the Drug Discovery Facility (DRUG). A link to the Purdue campus map is found here: purdue.edu/campus-map/.

Let us know your affiliation

https://purdue.ca1.qualtrics.com/jfe/form/SV_4HnYCzwL4vwHzLM

Registration (Click here)

Users can register for workshops of interest by clicking the registration link above to be taken to a sign-up registration form. There are three tabs, each corresponding to a different day of the CAID event (Wed 11/6, Thurs 11/7, and Fri 11/8). Simply add your preferred name into a blank cell to register for a specific CAID workshop at a specific day and time slot. A list of workshops with descriptions is below. There is a maximum of six users per workshop timeslot. Multiple time slots across the three-day event are offered for each workshop to help ensure all participants can attend their preferred workshops. When registering, please be mindful of the following:

• Please do not register for the same workshop more than once.
• Please do not register for multiple workshops that occur on the same day and time.
• Please only register if you know for certain you can attend for that time slot. If you register and need to cancel, please do so by deleting your name from the form.

All workshops will be hosted across the three-day event. However, not all workshops will be as available as others and the time slots for these are blocked off in the registration form. Users are encouraged to choose which workshops they are interested in and register early.

Questions regarding CAID and registration can be sent to Michael Espenship (mespensh@purdue.edu).

What workshops will be demonstrated?

(1) A Dual Electrostatic Linear Ion Trap for Increased Resolution and m/z Range 
      (BRWN – Basement – B178)

The electrostatic linear ion trap (ELIT) is used to trap ions between reflective mirrors and measure their oscillatory frequency via a central detection electrode. For increased resolution of the ion signal, the path length of a lap can be reduced by shortening the physical trap dimensions, leading to increased frequency. However, the mass range is limited due to smaller ions reaching the trap before the larger ions. Therefore, increasing the trap dimensions allows more time for the larger ions to reach the trap while still capable of trapping the smaller ions. A dual trap, or trap-in-a-trap setup has been employed whereby a smaller trap has been built within the configuration of a larger enhanced-resolution mode. This ELIT setup, utilizing ions generated via glow discharge, will be demonstrated during the workshop.

(2) Tandem 2D-3D Digital Ion Trap for Analysis of High m/z Ions
      (BRWN – Basement – B178)

Analyzing high m/z ions is challenging on commercial mass spectrometry platforms. In a mass spectrometer, a fixed drive radio frequency (drive RF) is applied to the trapping electrodes of the instrument. Most commercial instruments use a tuned circuit to provide the fixed drive RF in the low m/z regime. Digital ion traps apply a digital waveform instead of the typical sinusoidal waveform as the drive RF. This waveform provides better trapping capabilities for larger ions and flexibility in the drive RF. Additionally, the duty cycle of the waveform can be manipulated to isolate large m/z ions without needing to apply supplemental DC voltages. This unlocks mass ranges upwards of 400,000 Th and has been shown to be useful in the analysis of large protein complexes and ribosomes. Here, a demonstration of the tandem 2D-3D digital ion trap will be shown during this workshop.

Electrochemiluminescence is an excited-state electrochemical technique that has found vast applications in diagnostics and understanding fundamental radical chemistry. In this technique, a co-reactant and luminophore undergo co-reduction or co-oxidation reactions producing a reactive radical. This radical then undergoes a charge-transfer with the reduced or oxidized luminophore producing an excited state. The uniqueness of this technique is the experimental noise is dictated solely by the detector noise since there are no excitation photons, unlike fluorescence. At this demo we will showcase our group’s ECL coupled microscopy with 3D cancer models (spheroids) and how we map their hydrogen peroxide production. Also presented will be our strategy of amplifying ECL in space and time by electroprecipitating the sulfate radical anion.

The traditional method in biological science to regulate cell functions often employs chemical interventions, which commonly lack precision in space and time. While optical manipulation offers superior spatial precision, existing technologies are constrained by limitations in flexibility, accuracy, and response time. Here, we present a software-assisted real-time precision opto-control (S-RPOC) developed by integrating adaptive target selection and flexible decision-making. The advanced system facilitates automatic target selection driven by optical signals while permitting user-defined delineation. It allows the creation of various optical manipulation conditions in the same field of view and simultaneous monitoring of short-term and long-term cell responses. Specifically, S-RPOC showcases versatile capabilities including adaptive photobleaching, comprehensive quantification of protein dynamics, selective organelle perturbation, control of cell division, and manipulation of individual cell behaviors within a population. S-RPOC holds the promise to advance our knowledge in site-specific biomolecular activities and bring about new approaches to control behaviors of biological samples.

 (5) Chemical Characterization of Plastic Mixtures with TPD-DART-HRMS
       (BRWN – 5^th Floor - 5135)

The environmental aspects of mixed plastic pyrolysis processes performed during waste-to-energy and recycling processes must be systematically studied as there is potential release of toxic gases and aerosols into the atmosphere. In this experiment, we apply TPD-DART-HRMS (temperature programmed desorption-direct analysis in real time-high resolution mass spectrometry) as a method to evaluate the chemical composition of pyrolyzed plastic mixtures and examine how we can use the temperature-resolved information to inform atmospheric projections. Participants will be able to interact with the instrumentation, observe the unique mass spectrum of plastic types, and visualize how this technique allows us to quantify the extent of solid-to-gas pyrolysis transformations.

 (6) Using a Rotating Wall Mass Analyzer in Ion Soft-Landing
       (BRWN – 5^th Floor - 5125)

Participants will have a first-hand experience with a custom soft-landing mass spectrometry instrument that uses a rotating wall mass analyzer (RWMA), a device that provides a uniform rotating electric field. The RWMA is a simple mass analyzer that separates a broad range of ions from low to extremely high m/z. When an ion beam passes through the device, different m/z ions deposit onto a surface with a ring-shaped pattern. Lower m/z ions deposit in rings with larger radii whereas larger m/z ions deposit in rings with smaller radii. The higher m/z range can be explored simply by lowering the frequency of the rotating electric field. During the workshop, participants of CAID will control the rotating electric field parameters and observe in real-time how these determine the radii of deposition of each m/z using a position-sensitive detector.

 (7) Using nano-DESI as a Sampling Technique for Mass Spectrometry Imaging
       (BRWN – 5^th Floor - 5125)

Nanospray desorption electrospray ionization (nano-DESI) is a technique used in mass spectrometry for localized liquid extraction of sample surfaces. In a typical nano-DESI experiment, an extraction solvent is propelled through the nano-DESI probe, composed of two adjoining glass capillaries. A liquid bridge is formed at the interface of the nano-DESI probe and the sample surface. Analytes are desorbed into the liquid bridge, transferred into the probe, and ionized at the mass spectrometer inlet. To analyze the entire sample surface, a motorized xyz-stage designed to hold the sample is manipulated. This process generates thousands of data points corresponding to the ion abundance of the extracted analytes at the sample’s surface. The cumulative data is then used to generate images representing the spatial distribution of the extracted analytes. A demonstration of nano-DESI mass spectrometry imaging will involve the analysis of dyes from a sample surface. In this workshop, participants will have the opportunity to create a sample, set-up the nano-DESI experiment, use nano-DESI to extract the dye from the sample, and process the data to create an image of the sample.

 (8) One-pot Analytical Pipeline for Efficient Mass Spectrometry-based Proteomic Profiling of
       Extracellular Vesicles (BIND – 2^nd Floor - 280)

Detection of extracellular vesicles (EVs) cargoes from biofluids has gained increasing attention in the field of translational and clinical medicine. EV proteomics emerges as an effective tool for discovering potential biomarkers for disease diagnosis, monitoring, and therapeutics. However, the current workflow of mass spectrometry (MS)-based EV proteomic analysis is not fully compatible in a clinical setting due to inefficient EV isolation methods and a tedious sample preparation process. In this workshop, we will demonstrate a streamlined sample preparation procedure using functionalized magnetic beads and proteomic analysis using data-independent acquisition (DIA) MS. Participants will be able to learn about the principle of the sample preparation and the analysis on a high-resolution MS.

 (9) High-throughput Chemical Synthesis Platform
       (DLR – 4^th Floor - 415)

In this workshop, you will use a single new instrumental platform that combines (i) high-throughput (HT) reaction screening, (ii) small-scale synthesis and (iii) HT bioassays. Desorption electrospray ionization-mass spectrometry (DESI-MS) is used for both the chemical reaction and the bioassay steps. The reactions occur at the rate of 1 per second, using ca 5 ng of reagents. Products are generated during flight of the microdroplets formed from the DESI spray. Reactions are accelerated, commonly by factors of 10,000 to 1 million, and this accounts for the speed of the process. The system is completely automated and data takes the form of Michalis Menten plots as the output. The particular experiment for CAID will involve late-stage functionalization (LSF) of 3 common multifunctional OTC drugs. Four different types of reactions will be performed on each compound and in each case 8 reagents will be used. The total of 3 x 4 x 8 reactions, i.e. 96 different reactions will be run in quadruplicate (384 experiments) using a single plate which will allow space for blanks and quantitation standards. The experiment will take 10 minutes. Products of particular interest will be identified in the output and tandem mass spectra will be recorded by moving back to the spots of interest to identifying the products.

Mass spectrometry is a powerful analytical technology due to its molecular specificity. The use of tandem mass spectrometry or MS/MS scans is valuable to structural elucidation, to profiling molecules of classes which present similar product ions and to quantifying the concentration of ionizable molecules. Per- and polyfluoroalkyl substances (PFAS) are chemicals that can persist in the environment for many years and have toxic effects in human and animal health. They were first used in the 1940's and are now in hundreds of products including stain- and water-resistant fabrics and carpeting, cleaning products, paints, and fire-fighting foams. Most people have been exposed to PFAS at least at low levels. Depending on the level and on the duration of the exposure, PFAS have been implicated in increased risk of certain cancers, including testicular, kidney, liver, and pancreatic cancer, in fertility issues, reproductive problems, and lower birth weights, as well as reduced ability of the immune system to fight infections and weakened childhood immunity. PFAS can also cause endocrine disruption and interference with the body's natural hormones, also causing increased risk of thyroid disease. In this 20 min experiment, we will profile different PFAS present in low ppb levels spiked in drinking water using the four different MS/MS scans, namely product ion scan, precursor ion scan, neutral loss scan and multiple reaction monitoring.

 (11) Artificial Intelligence based Agents for Automation, Analysis and Interpretation of Mass
          Spectrometry Experiments (DRUG – 2^nd Floor - 210)

Though once considered a subdiscipline of metabolomics, lipidomics has recently been recognized as an independent ‘omics’ discipline. Given the immense diversity and complexity of lipid species, advanced analytical techniques are essential for uncovering their roles in cellular processes, metabolism, and disease. Attributed to its unparalleled sensitivity, selectivity, and versatility, mass spectrometry (MS) has revolutionized modern lipidomics, emerging as a cornerstone technique in the field of lipidomics. Briefly, MS has propelled modern lipidomics to unprecedented heights, facilitating the comprehensive analysis of lipid structure, composition, and quantity in biological systems. However, as MS-based techniques are often refined and advanced, the relative comfort level among non-MS experts with this instrumentation has not followed suit. To ensure these approaches are more accessible, this tutorial aims to familiarize the general scientist with sample handling and analysis techniques for MS-based lipidomics, guiding non-experts towards generating high quality lipidomics data. In this workshop, participants will get hands-on experience working with AI agents to plan and execute MS experiments with high biological relevance. Through guided conversations with AI agents, participants will learn how artificial intelligence can enhance scientific experimentation by assisting with decision-making, troubleshooting, and data interpretation. By the end of the session, participants will have experienced how modern AI technologies can simplify complex scientific tasks in mass spectrometry, preparing them for future innovations in scientific research.

https://docs.google.com/spreadsheets/d/10KGS_O0YU80L33VRKliOLOyhvYPSe0SfIvPeHKyFBlM/edit?gid=1589656393#gid=1589656393

Any questions regarding the CAID event or registration can be sent to Michael Espenship (mespensh@purdue.edu)