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Mar 8, 2016 – MSDG Meeting

NJ-ACS Mass Spec Discussion Group

The NJ Mass Spectrometry Discussion Group presents its March Meeting on Tuesday, Mar 8, 2016 at at the Holiday Inn Somerset-Bridgewater, 195 Davidson Ave, Somerset NJ 08873 [ hotel website ]

Sponsored by Bruker Daltonics

Bruker Datonics, Inc
The evening is free for attendees, courtesy of our sponsor!

Please register here.

Featured Speakers:

I. Dr. Sergei Dikler

Technical Project Manager,
Bruker Daltonics Inc., Billerica, MA

“MALDI High-Throughput Screening beyond 100,000 Samples per Day in Drug Discovery”

II. Dr. Reid Groseclose

Senior Investigator – DMPK, US (R&D Platform Technology & Science),
GSK, King of Prussia, PA

“Imaging Mass Spectrometry: Visualizing Biology and Chemistry in Drug Development”

Program

5:30 pm – Social and registration
6:15 pm – Complimentary dinner
7:00 pm – Welcome and opening remarks
7:05 pm – Speakers

Abstract for Talk I:

A novel automation system for high throughput screening in Drug Discovery has been developed with label-free molecular detection via high speed MALDI TOF MS analysis. The scalable solution features comprehensive robotic automation with sample preparation from assay plates, automated sample / matrix deposition and automated high density target plate processing with MALDI MS detection for unattended screening of thousands of samples per day. Assay development time is rapid, consumable and solvent usage / cost is minimized, and sample “readoutd” is 10x faster than other Mass Spectrometry workflows.

Abstract for Talk II:

Understanding the tissue distribution of a drug and its metabolites is an essential element in the development of safe and efficacious drugs. Imaging mass spectrometry (IMS) can determine the spatial distribution of an unlabeled drug and its metabolites in a tissue section with high sensitivity and specificity. Detailed molecular images of both exogenous and endogenous analytes can be correlated with the underlying tissue histology to produce very high information content datasets. This integrated imaging modality offers the potential to enhance our mechanistic understanding of disease progression and pharmacology (including toxicology) by providing snap shots of temporal and causal changes. Equally important, this new tool can serve as a common platform for engaging pathologist, clinicians, biologists and chemists in addressing a wide range of biological and chemical challenges.

This presentation will focus on our efforts to couple IMS and histology in drug development to gain mechanistic insights into drug correlated toxicities and efficacy. Case studies from early and late stage drug development where IMS was employed to investigate the mechanisms of adverse events, establish PK/PD relationships, and guide risk assessment will be presented.

Bio for Dr Dikler :

Sergei Dikler received his Ph.D. degree in Chemistry from the Texas A&M University under direction of Professor David H. Russell. Dr. Dikler joined Bruker Daltonics and has been working in the Applications Group specializing in MALDI-TOF/TOF applications. He led or participated in the new product development projects such as the development of MALDI PharmaPulse system and the development of NALDI targets. Dr. Dikler worked on new method development for MALDI-TOF and MALDI-TOF/TOF instruments including high-throughput screening, de novo sequencing of neuropeptides, clinical proteomics, LC-MALDI, species identification based on intact protein profiling, top-down and middle-down sequencing of intact proteins and many other projects that resulted in numerous conference presentations and papers in peer reviewed journals. In 2009 his work was featured in Genetic Engineering & Biotechnology News magazine.

Bio for Dr Groseclose:

Reid Groseclose is a Senior Investigator in the Bioimaging group at GlaxoSmithKline located in Upper Merion, Pennsylvania. Reid received his B.S. in chemistry from the University of Tennessee in 2004 and his Ph.D. in chemistry from Vanderbilt University in 2009 in the lab of Richard Caprioli, where his work focused on exploring the utility of MALDI imaging mass spectrometry and proteomics for the analysis and classification of cancerous tissues. He joined GlaxoSmithKline in 2009, where his research interests have centered on the application of MALDI IMS to determine the tissue distribution of drugs and their metabolites and investigating the mechanisms of disease pathogenesis, pharmacology and toxicology.

2016-03-08

(Past Event)

Nov 11, 2015 – MSDG Meeting

NJ-ACS Mass Spec Discussion Group

The NJ Mass Spectrometry Discussion Group presents its November meeting on Wednesday, November 11, 2015 at at the Holiday Inn Somerset-Bridgewater, 195 Davidson Ave, Somerset NJ 08873 [ hotel website ]

Sponsored by Shimadzu

Shimadzu
The evening is free for attendees, courtesy of our sponsor!

Please register here.

Program

5:30 pm Social and registration

6:15 pm Complimentary dinner

7:00 pm Welcome and opening remarks

7:05 pm Speakers

Seminar Speakers

I. Ruth Verplaetse, PhD

Q2 (a Quintiles Quest Joint Venture)

Quantitative Determination of Opioids in Whole Bloodusing Fully Automated Dried Blood Spot DesorptionCoupled to On-line SPE-LC-MS/MS

II. Jeff Dahl, PhD

Application Scientist, Shimadzu Scientific Instruments

Shimadzu Technical Innovations and Collaborations in UFMS

ABSTRACT for Dr Verplaetse: Opioids are well known, widely used painkillers. Increased stability of opioids in the dried blood spot (DBS) matrix compared to blood/plasma has been described. Other benefits provided by DBS techniques include point-of-care collection, less invasive micro sampling, more economical shipment and convenient storage. Current methodology for analysis of micro whole blood samples for opioids is limited to the classical DBS workflow including tedious manual punching of the DBS cards followed by extraction and LC-MS/MS bioanalysis. The goal of this study was to develop and validate a fully automated on-line sample preparation procedure for the analysis of DBS micro samples relevant to the detection of opioids in finger prick blood. To this end, automated flow-through elution of DBS cards was followed by on-line solid-phase extraction (SPE) and analysis by liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS). Selective, sensitive, accurate and reproducible quantitation of five representative opioids in human blood at sub-therapeutic, therapeutic and toxic levels was achieved. The range of reliable response (R2 ≥0.997) was 1 to 500 ng/mL whole blood for morphine, codeine, oxycodone, hydrocodone and 0.1 to 50 ng/mL for fentanyl. Inter-day, intra-day and matrix inter-lot accuracy and precision was less than 15% (even at LLOQ level). The method was successfully used to measure hydrocodone and its major metabolite norhydrocodone in incurred human samples. Our data support the enormous potential of DBS sampling and automated analysis for monitoring opioids as well as other pharmaceuticals in both anti-doping and pain management regimens.

 

2015-11-11

(Past Event)

Oct 20, 2015 – MSDG Meeting

NJ-ACS Mass Spec Discussion Group

The NJ Mass Spectrometry Discussion Group presents its October meeting on Tuesday, October 20, 2015 at at the Holiday Inn Somerset-Bridgewater, 195 Davidson Ave, Somerset NJ 08873 [ hotel website ]

Sponsored by Thermo Fisher Scientific

Thermo Fisher Scientific

The evening is free for attendees, courtesy of our sponsor!

Please register here.

Program

5:30 pm Social and registration

6:15 pm Complimentary dinner

7:00 pm Welcome and opening remarks

7:05 pm Speakers

Seminar Speakers

Dr. Guilong Charles Cheng

Team Lead, Product Characterization, Alexion Pharmaceutical, Inc

Detailed Characterization of Therapeutic Proteins on An Orbitrap Platform

ABSTRACT: Therapeutic proteins, including recombinant monoclonal antibodies are inherently heterogeneous, due to various enzymatic and non-enzymatic modifications occurred during different stages of processes from cell culture to storage. N-terminal pyroglutamine cyclization, C-terminal lysine variation, glycation, glycosylation variation, incomplete disulfide bond formation, deamidation and oxidation are just a starting list of modifications commonly found in an antibody. This complexity posts great challenges not only for MS hardware perspective for both sensitivity and dynamic range, but also for the backend data analysis, which has vastly different requirements than the traditional proteomic data analysis approach. This presentation will provide recent examples on the use of an Orbitrap Fusion platform along with PepFinder software to examine the digestion protocols for our mAb, to characterize charged species in the release assay, as well as to understand degradation mechanisms and applications in product comparability.

Joshua J. Nicklay & Keeley M. Murphy

Thermo Fisher Scientific

A High Resolution Accurate Mass Approach for Reliable and Sensitive Quantitation

ABSTRACT: As potential leads for successful drug candidates move through the drug discovery process, there is a need for quantitative in vitro and in vivo analysis at each step.  The requirement for quantitative assays that provide accuracy, sensitivity, reproducibility, and broad linear response has remained a constant. As mass spectrometry technology has progressed over time other aspects also play an important role in meeting the needs of these assays.  Ease of use, simplified method development and the availability of troubleshooting tools now represent important factors when choosing the most appropriate technology for a particular assay and the corresponding method development.  Here we will explore the benefits of a high resolution accurate mass approach for quantitative analysis in regards to ease of use and method development as well as overall assay performance.

2015-10-20

(Past Event)

Sept. 1, 2015 – MSDG Symposium & Vendor Show

NJ-ACS Mass Spec Discussion Group

The NJ Mass Spectrometry Discussion Group presents its September Symposium and Vendor Show on Tuesday, September 1, 2015 at at the Holiday Inn Somerset-Bridgewater, 195 Davidson Ave, Somerset NJ 08873 [ hotel website ]

The evening is free for attendees, courtesy of our sponsors!

New this year will be poster presentations from industry and academia, including our ASMS award recipients. If you would like to present a mass spectrometry related poster, please contact Allen Jones     ( allen.n.jones@verizon.net ).

Please register here.

Please circulate and post this flyer to your colleagues.

Program

2:30 – 8:00 PM         Vendor Show

2:30 – 3:00 PM         Vendor Set Up – Hotel Ballroom

3:00 – 4:00 PM         Registration – Hotel Ballroom

4:15 – 4:45 PM         Cocktail Break / vendor interaction

4:45 – 5:45 PM         Presentation by Prof. Thomas Baillie (University of Washington)

The Critical Role of Mass Spectrometry in Mechanistic Studies of Drug-Induced Toxicities

5:45 – 7:00 PM         Buffet Dinner (Raffle prizes will be announced)

7:00 – 8:00 PM         Presentation by Prof. Richard Caprioli (Vanderbilt University)

Imaging Mass Spectrometry: Molecular Microscopy for Biological / Clinical Applications

2015-09-01

(Past Event)

May 12, 2015 – MSDG Meeting

NJ-ACS Mass Spec Discussion Group

The NJ Mass Spectrometry Discussion Group presents its May Meeting on Tuesday, May 12, 2015 at at the Holiday Inn Somerset-Bridgewater, 195 Davidson Ave, Somerset NJ 08873 [ website ]

Sponsored by Waters

Waters
The evening is free for attendees, courtesy of our sponsor!

The winners of the student ASMS travel awards will be announced during the meeting.

Please register here.

Program

5:30 pm Social and registration

6:15 pm Complimentary dinner

7:00 pm Welcome and opening remarks

7:05 pm Speakers

(1) Bernard Choi Ph.D, Principal Scientist, Merck & Co., Inc., Rahway, NJ

“Automation of sample preparation for LC-MSMS analysis of small molecules and peptides in biological”

(2) David McLaren Ph.D, Principal Scientist, Merck & Co., Inc., Kenilworth, NJ

TApproaches to Biomarker Discovery for Lipid Metabolizing Enzymes in Pharmaceutical Research & Development

7:55 pm Closing remarks

Abstract (1): The presentation will discuss different approaches to implementing automated sample preparation for LC-MSMS (i.e. protein precipitation, solid phase extraction and immunoprecipitation).

Abstract (2):  Disorders of lipid metabolism are contributing causes or comorbidities in a variety of diseases including hyperlipidemia, pancreatitis, type 2 diabetes and atherosclerosis.  Discovery and development of novel therapies to treat these disorders depends on reliable methods to measure effects on lipid homeostasis in vivo.  To this end, we have developed fit-for-purpose general protocols for studying modulation of lipid metabolizing enzymes in preclinical species specifically to enable rapid evaluation of pharmacodynamic effects.  This presentation will describe examples of biomarker development in the area of dyslipidemia which can be used to support research in the fields of cardiovascular disease and diabetes.  The use of key enabling technologies, including lipidomics and metabolic flux using stable isotope tracers, will be highlighted.  Particular emphasis will be given to experimental considerations impacting on analysis and interpretation of the stable isotope tracer data.  Finally, the impact that higher sensitivity mass spectrometers can have on pushing the limits of metabolic flux studies will be discussed.

2015-05-12

(Past Event)

Apr 14, 2015 – MSDG Meeting

NJ-ACS Mass Spec Discussion Group

The NJ Mass Spectrometry Discussion Group presents its April Meeting on Tuesday, Apr 14, 2015 at at the Holiday Inn Somerset-Bridgewater, 195 Davidson Ave, Somerset NJ 08873 [ website ]

Sponsored by Agilent

Agilent Technologies

The evening is free for attendees, courtesy of our sponsor!

Please register here.

Program

5:30 pm Social and registration

6:15 pm Complimentary dinner

7:00 pm Welcome and opening remarks

7:05 pm Dr. John A. McLean, Stevenson Professor of Chemistry, Vanderbilt University

Title: Targeting the untargeted: Structural mass spectrometry for the analysis of complex samples in systems, synthetic, and chemical biology

7:55 pm Closing remarks

Abstract:

One of the predominant challenges in systems-wide analyses is the broad-scale characterization of the molecular inventory in cells, tissues, and biological fluids. Advances in computational systems biology rely heavily on the experimental capacity to make panomics measurements, i.e. integrated metabolomics, proteomics, lipidomics, glycomics, etc., accompanied with fast minimal sample preparation, fast measurements, high concentration dynamic range, low limits of detection, and high selectivity. This confluence of figures-of-merit place demanding challenges on analytical platforms for such analyses. Ion mobility-mass spectrometry (IM-MS) provides rapid (ms) gas-phase electrophoretic separations on the basis of molecular structure and is well suited for integration with rapid (us) mass spectrometry detection techniques. Furthermore, the timescales of this multi-dimensional separation are well suited for combination with fast condensed-phase separations such as GC, SFC, and UPLC (min) for enhanced separation selectivity as the sample complexity becomes ever more challenging. This report will describe recent advances in IM-MS panomics measurement strategies in the analyses of complex biological samples of interest in systems, synthetic, and chemical biology. New advances in bioinformatics and biostatistics will also be described to approach biological queries from an unbiased and untargeted perspective and to quickly mine the data gathered to provide targeted and actionable information.

2015-04-14

(Past Event)

Mar 17, 2015 – MSDG Meeting

NJ-ACS Mass Spec Discussion Group

The NJ Mass Spectrometry Discussion Group presents its March Meeting on Tuesday, Mar 17, 2015 at at the Holiday Inn Somerset-Bridgewater, 195 Davidson Ave, Somerset NJ 08873 [ website ]

Sponsored by Bruker Daltonics

Bruker Datonics, Inc

The evening is free for attendees, courtesy of our sponsor!

Please register here.

Featured Speakers:

I. Dr. Wendy Zhong

Principal Scientist, Merck Research Lab

“Top Down Approach on Low Level Unknown Determination of Therapeutic Peptides and Proteins using High Resolution FT-ICR MS platform”

II. Dr. Shannon Cornett,

Applications Development Manager, Bruker Daltonics

New tools for extracting more information from molecules in tissue using solarix XR

Program

5:30 pm – Social and registration
6:15 pm – Complimentary dinner
7:00 pm – Welcome and opening remarks
7:05 pm – Dr. Wendy Zhong
8:00 pm – Dr. Shannon Cornett
8:55 pm – Closing remarks

Abstract for Talk I:

MALDI imaging from tissue can open new insights into the molecular changes associated with biological state.  However, knowing how an ion distributes within the tissue is merely an entry point for extracting molecular information.  High resolution mass spectrometry can provide some degree of identifying information, particularly for smaller molecules where a unique formula id can usually be established from accurate mass.

Identifying larger molecules presents even greater challenges that require other tools and strategies which we are actively developing.  For molecules up to several hundred Daltons in mass (i.e. lipids and small peptides , new detection technologies have been implemented into solarix XR which resolve the isotopic fine structures (IFS).  With IFS information it is possible to count the number of heteroatoms in the molecule which can allow unambiguous formula identification when accurate mass alone, is not sufficient.

Large proteins are typically outside the typical detection range of solarix but, using on-tissue digestion, solarix XR can image tryptic peptides as proxies to the parent protein distributions.  Protein identification directly from tissue does not offer high numbers of ids but with imageID strategies hundreds of proteins identified by high-performance qTOF can be matched with high resolution solarix XR ion images.  Using these tools a greater amount of information can be extracted from complex samples with minimal extra effort.

Abstract for Talk II:

Therapeutic peptides and proteins have become a rapidly increasing sector of today’s pharmaceutical market. However, peptide and protein pharmaceuticals are chemically and physically unstable in nature. Degradants and impurities can be generated during manufacturing and storage, leading to inactivation or worse, to toxicological responses. Due to quality and safety concerns, the demand in analytical technologies to rigorously characterize degradants and impurities of these large and complex biomolecules has increased dramatically.

High resolution mass spectrometry plays a leading role in protein structure determination. Compared to other high resolution MS instruments such as Orbitrap and TOF instruments, a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer is particularly powerful in determining protein sequence via top down approach due to its ultra-high mass resolution and high mass accuracy capability. In this presentation, several case studies will be discussed to demonstrate the unique capabilities of ultra-high resolution in structure elucidation of impurity and degradation products in large peptides and proteins. An example of using a NanoMate/CASI (Continuus Accumulation of Selected Ion) technology coupled with ECD (Electron Capture Dissociation) to determine isomeric structures for degradation products in large peptides using a top down approach will also be elaborated. Its unique capability is to determine the low level impurity in a mixture without LC separation and isolation, which could result a very quick turnaround time. Micro to nano scale sample consumption can be readily achieved via NanoMate.

2015-03-17

(Past Event)

Feb 10, 2015 – MSDG Meeting

NJ-ACS Mass Spec Discussion Group

The NJ Mass Spectrometry Discussion Group presents its February Meeting on Tuesday, Feb 10, 2015 at at the Holiday Inn Somerset-Bridgewater, 195 Davidson Ave, Somerset NJ 08873 [ website ]

Sponsored by AB Sciex

AB Sciex

The evening is free for attendees, courtesy of our sponsor!

Please register here.

Featured Speakers:

I. Dr. Zamas Lam

Senior Vice President & Global Head of Pre-Clinical Development at QPS

In Vitro Species Comparison Using Long-Term Hepatocyte Co-Cultures Model and Integrated Qualitative/Quantitative UHPLC-HRMS with Data Independent MS/MS

II. Dr. Suma Ramagiri,

Global Technical Marketing Manager, Pharma/CRO Business at AB Sciex

Antibody Drug Conjugates-Integrated LC/MS strategies for multiple component analysis

Program

5:30 pm – Social and registration
6:15 pm – Complimentary dinner
7:00 pm – Welcome and opening remarks
7:05 pm – Dr. Zamas Lam
8:00 pm – Dr. Suma Ramagiri
8:55 pm – Closing remarks

2015-02-10

(Past Event)

Oct 21, 2014 – MSDG Meeting

NJ-ACS Mass Spec Discussion Group

The NJ Mass Spectrometry Discussion Group presents its October Meeting on Tuesday, Oct 21, 2014 at at the Holiday Inn Somerset-Bridgewater, 195 Davidson Ave, Somerset NJ 08873 [ website ]

Sponsored by Shimadzu

Shimadzu

The evening is free for attendees, courtesy of our sponsor!

Please register here.

Featured Speakers:

I. Kevin Schug, Ph.D.

Shimadzu Distinguished Professor of Analytical Chemistry, Department of Chemistry & Biochemistry, The University of Texas at Arlington

On-Line Preparation, Separation, and Quantitative Determination of Small and Large Molecules in a Multipath Liquid Chromatography – Mass Spectrometry System

II. Fred Regnier,

J.H.Law Distinguished Professor of Chemistry Emeritus, Purdue University and C.E.O of Novilytic. West Lafayette, Indiana

“Sample Preparation: The Achilles Heel of Rapid Mass Spectral Analysis”

Program

5:30 pm – Social and registration
6:15 pm – Complimentary dinner
7:00 pm – Welcome and opening remarks
7:05 pm – Dr. Kevin Schug
8:00 pm – Prof. Fred Regnier
8:55 pm – Closing remarks

Abstract for Talk I:

Many precious biological samples may contain multiple analytes of interest; these may span the range from small molecule metabolites to large proteins. Typically, sample preparation, analytical separation, and quantitative determination schemes for different classes of chemical compounds can vary substantially – so much so that they require completely separate analyses. It has been our goal to develop a multipath liquid chromatography – mass spectrometry system, which enables sample preparation and analysis of multiple chemical compound classes from a single injection. Through integrated restricted access media, multiple valves, and flow-paths, it is possible to segregate the components of a complex biological mixture and facilitate their separation on appropriate chromatographic phases, followed by ultra-trace detection on a triple quadrupole mass spectrometer. This could be desirable to streamline analysis of, for example, multiple biomarkers or small and large molecule conversion products of biotherapeutics, simultaneously in one analytical run. This talk will describe our progression of work aimed towards those ends, including development of methods for: Ultra-trace determination of small molecules using bulk derivatization and restricted access media; optimization of multiple reaction monitoring schemes for intact protein analysis; and integration of these components into a single multipath instrument for segregation and simultaneous separation and determination of small and large molecule analytes.

Abstract for Talk II:

    The issue of how to rapidly identify and quantify multiple substances in biological samples is a subject of great interest today, particularly in drug metabolism and pharmacokinetics, biomarker discovery and validation, clinical diagnostics, and translational medicine. The potential of mass spectrometry (MS) in this arena is a function of how fast data can be acquired from highly complex biological samples. Although MS can identify and quantify hundreds of analytes within msec, sample preparation frequently takes 12-24 hours. Clearly sample preparation is a substantial problem in addition to being boring, labor intensive, and costly. This presentation will examine ways in which this problem can be circumvented.

    The fact that biological samples contain cells along with greater than 105 molecular species means that multiple types of prefractionation must occur before introduction into an MS. Cell removal, analyte extractions and enrichment, and subtraction of interfering substances are all part of the sample preparation process. Chemical modifications of analytes ranging from derivatization to digestion are also necessary in many cases. Finally there is the issue of sample origin. When samples are derived at a source other than the MS lab there is the issue is how to get them to the laboratory, what happens to them en route, and following their identity as they pass through multiple preparation steps.

    Clearly these problems can be minimized by automation. But the problem is more complicated than that. Automating multiple individual steps still takes a lot of space and probably does not reduce sample preparation time. A focus of this presentation will be on how to automate multiple steps of sample preparation simultaneously in a single device.

2014-10-21

(Past Event)

Sep 29, 2014 to Oct 1 – MSDG at CPSA

NJ-ACS Mass Spec Discussion Group MSDG at CPSA 2014


 
NJ-MSDG participates annually in CPSA, a three-day conference on Clinical & Pharmaceutical Solutions through Analysis held at the Sheraton Bucks County Hotel, in Langhorne, PA. Typically, MSDG organizes a session and co-sponsors the Keynote Address and Banquet. MSDG members have free admission to those two events, but separate registration is required, for planning.

CPSA Click [ CPSA USA ] for the full program and directions. Conference fee is $360, short courses $260. Registration is at http://www.cpsa-usa.com/2014/registration.shtml. MSDG members get a discount on conference registration.

  1. CPSA Workshop (sponsored by NJ-MSDG!) – Mon, Sept 29, 2014 / 2-4PM“From Nature’s Products to Biologics – Applications of Advanced Analytical Technologies”   Discussion Leaders: Ronald Kong, PTC; Min Liu, Merck; Jasmine Lu, Shimadzu, Sponsored by the North Jersey ACS Mass Spectrometry Discussion Group. (Separate registration for this event required by clicking here. No charge for NJ-MSDG members).
  2. CPSA – Wed, Oct 1, 2014 / 3:45PM onwardsVendors’ 5 minutes of Fame – followed by CPSA Dinner Lectures & Award Presentations, held in conjunction with our MSDG group and the Del Val Drug Metabolism Discussion Group. (Separate registration for this event required by clicking here).

2014-10-01

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