Per- and polyfluoroalkyl substances (PFAS) have become a major global concern due to their persistence, bioaccumulation, and potential health impacts. With thousands of known PFAS compounds, and new variants continuing to emerge, identifying and quantifying them across complex environmental and biological samples is an ongoing analytical challenge.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_From_Complexity_to_Clarity_Smarter_PFAS_Identification_Workflows_in_Compound_Discoverer_Software_2_8e83167891.jpg" alt="Thermo Fisher Scientific: From Complexity to Clarity: Smarter PFAS Identification Workflows in Compound Discoverer Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_From_Complexity_to_Clarity_Smarter_PFAS_Identification_Workflows_in_Compound_Discoverer_Software_2_8e83167891.jpg 245w," sizes="100vw" width="1024" height="574"><h3>Why PFAS analysis matters</h3>PFAS are used in everything from firefighting foams to non-stick coatings, yet their chemical stability means they persist in the environment and accumulate in living organisms. Regulators and scientists around the world are racing to better understand their distribution, fate, and toxicity.But with tens of thousands of PFAS, many without available reference standards, traditional targeted analysis alone isn’t enough. Analysts increasingly rely on non-targeted analysis (NTA) workflows powered by high-resolution accurate-mass (HRAM) mass spectrometry and advanced software to uncover the full picture.<h3>Addressing the challenges of PFAS identification</h3>Successful non-targeted PFAS analysis requires overcoming several analytical hurdles:<ol><li>Acquiring high-quality MS¹ and MS² data with ultra-high mass resolution and accuracy.</li><li>Detecting low-abundance PFAS hidden within thousands of background compounds.</li><li>Leveraging comprehensive spectral libraries and databases for confident identification.</li><li>Applying data filtering and scoring tools to assign confidence levels to annotations.</li><li>Using visualization and statistical tools to interpret and compare complex datasets.</li></ol><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759">Thermo Scientific Compound Discoverer 3.5 software </a>brings together all the components needed for robust PFAS identification—integrating <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=22&amp;manufacturerItems=3">HRAM Orbitrap MS</a> data with an expanded suite of PFAS-specific libraries and databases.In a single workflow, users can:<ul><li>Detect and annotate compounds automatically from LC-MS data.</li><li>Determine possible elemental formulas using isotope pattern and accurate mass information.</li><li>Compare MS² spectra against <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764">mzCloud</a>, NIST 2023, and in silico PFAS libraries.</li><li>Cross-reference annotations with the EPA PFAS Structure List and the NIST Suspect List of PFAS.</li><li>Use PFAS-specific fragment and neutral loss databases to strengthen identification confidence.</li></ul>With these resources combined, the software enables confident annotation of more than 40,000 PFAS compounds!<h3>New tools for confident, streamlined PFAS identification</h3>Compound Discoverer software introduces several new features designed to simplify and accelerate PFAS NTA workflows:<ul><li>Apply PFAS Scoring Node: Automatically calculates PFAS-specific parameters and a new PFAS Score—no R scripting required.</li><li>PFAS Plot: A visual tool that uses mass-defect metrics to highlight probable PFAS in complex datasets, following methods from Kaufman et al. (2022).</li><li>Expanded suite of libraries and databases: Combines mzCloud, NIST, in silico, PFAS fragment databases, and a new neutral loss database for greater confidence.</li><li>Advanced data visualization: Tools like Kendrick Mass Defect and Molecular Network plots reveal homologous PFAS series and related compound families.</li><li>Built-in statistical analysis tools: Compare PFAS composition between samples using Principal Component Analysis, Differential analysis and Hierarchical Cluster Analysis.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_From_Complexity_to_Clarity_Smarter_PFAS_Identification_Workflows_in_Compound_Discoverer_Software_ed32c7f7c1.jpg" alt="Thermo Fisher Scientific From Complexity to Clarity Smarter PFAS Identification Workflows in Compound Discoverer Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_From_Complexity_to_Clarity_Smarter_PFAS_Identification_Workflows_in_Compound_Discoverer_Software_ed32c7f7c1.jpg 245w," sizes="100vw" width="800" height="395"><h3>From complexity to clarity</h3>By uniting Orbitrap HRAM data with the most comprehensive PFAS libraries available, Compound Discoverer 3.5 software streamlines non-targeted PFAS analysis—helping laboratories move from data complexity to confident chemical clarity.<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5612">Watch the on-demand webinar</a> to see the full workflow in action and learn how Compound Discoverer software can enhance your PFAS analysis.<ul><li>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#PFAS #CompoundDiscoverer #SpectralLibraries</li></ul><blockquote><h5>Zoe Julian</h5>Zoe Julian is a Product Marketing Manager for Chromatography and Mass Spectrometry software at Thermo Fisher Scientific. With over 12 years' experience of working with chromatography and mass spectrometry techniques with a background in GC and GC-MS(/MS) organic environmental analysis, she has helped many laboratories and industries improve their workflows through a unique understanding of their challenges. Transitioning to a focus on Chromeleon CDS she has shown customers how software solutions can improve their productivity and support their day-to-day operations.</blockquote>

From Complexity to Clarity: Smarter PFAS Identification Workflows in Compound Discoverer Software

<h3>Two Dimensions, One Solution: Advancing Oligonucleotide Analysis with 2D-LC</h3><h4>Why Consider 2D-LC for Oligonucleotide Analysis?</h4>In oligonucleotide analytics, achieving reliable and precise results is not optional—it is fundamental. These biomolecules are inherently complex, often containing truncated sequences, structural variants, and a wide range of impurities. Such complexity frequently exceeds the separation capabilities of conventional one-dimensional liquid chromatography (1D-LC). As a result, critical components may coelute or remain unresolved, limiting analytical confidence.Two-dimensional liquid chromatography (2D-LC) offers a powerful alternative by significantly enhancing separation performance. By combining two complementary separation mechanisms, 2D-LC improves resolution, sensitivity, and overall analytical reliability. This enables a much deeper understanding of oligonucleotide samples and their compositional intricacies.<blockquote><h4>Previous parts from the Oligos Made Easy series</h4><ul><li>Part 1: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/6808">Overview</a></li><li>Part 2: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/6846">AEX</a></li><li>Part 3: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/6880">IP-RP</a></li><li>Part 4: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/6912">HILIC</a></li><li>Part 5: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/6944">SEC</a></li><li>Part 6: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/6982">Column Navigator</a></li><li>Part 7: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/7012">Large Scale AEX</a></li><li>Part 8: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/7045">Sepapure oliGO</a></li></ul></blockquote><h4>Moving Beyond the Limits of 1D-LC</h4>For many years, 1D-LC has served as a standard tool for biopharmaceutical characterization. However, its inherent limitations become apparent when dealing with highly complex mixtures. The selectivity of a single chromatographic dimension is restricted, and the lack of orthogonality in retention mechanisms often results in insufficient separation. As sample complexity increases, the resolving power of 1D-LC becomes inadequate.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Figure_1_2_D_LC_Principle_Graphic_by_KNAUER_43e04d32a2.jpg" alt="KNAUER: Figure 1 - 2D-LC Principle (Graphic by KNAUER)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Figure_1_2_D_LC_Principle_Graphic_by_KNAUER_43e04d32a2.jpg 245w," sizes="100vw" width="1291" height="391">Two-dimensional LC addresses these limitations by coupling two chromatographic separations, which can be either similar or fundamentally different. Each dimension targets different physicochemical properties of analytes, enabling the resolution of compounds that would otherwise overlap. In essence, 2D-LC introduces an additional level of separation capacity, allowing analysts to disentangle coeluting species that remain unresolved in a single dimension.An important practical consideration is that the overall analysis time is governed by the second dimension. Because fractions from the first dimension must be processed sequentially, the second dimension must operate rapidly and efficiently. High-speed separations in the second dimension are therefore essential to maintain system performance and data quality.<h4>Architecture of a 2D-LC System</h4>At its core, a 2D-LC system relies on precise coordination between its components. The setup typically consists of two chromatographic columns, two pumping systems, and a switching valve that enables fraction transfer between dimensions. The sample is introduced through an autosampler and first separated on the primary column. Fractions of interest are then transferred into a loop via a switching valve and subsequently introduced into the second column for further separation.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Figure_2_2_D_LC_System_Configuration_Example_Graphic_by_KNAUER_f5747adf3a.jpg" alt="KNAUER: Figure 2 - 2D LC System Configuration Example (Graphic by KNAUER)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Figure_2_2_D_LC_System_Configuration_Example_Graphic_by_KNAUER_f5747adf3a.jpg 245w," sizes="100vw" width="859" height="517">The valve plays a crucial role in this process, acting as the interface between both chromatographic dimensions. Its function is to alternately collect fractions from the first dimension and inject them into the second dimension under high-pressure conditions. Various valve configurations can be employed, including ten-port or eight-port valves with dual-loop arrangements, or synchronized six-port valves. Regardless of configuration, the underlying principle remains the same: while one loop is being filled, the other is being flushed into the second dimension.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Figure_3_Schematic_figure_of_ten_port_left_and_eight_port_valve_right_2_position_setup_for_2_D_LC_Graphic_by_KNAUER_9209661ea8.jpg" alt="KNAUER: Figure 3 - Schematic figure of ten-port (left) and eight-port valve (right) 2-position setup for 2D-LC (Graphic by KNAUER)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Figure_3_Schematic_figure_of_ten_port_left_and_eight_port_valve_right_2_position_setup_for_2_D_LC_Graphic_by_KNAUER_9209661ea8.jpg 245w," sizes="100vw" width="1287" height="406">This alternating process requires precise timing. The second-dimension separation must be completed before the next fraction is ready for transfer. Consequently, synchronization between flow rates, loop volumes, and switching intervals is essential for maintaining chromatographic integrity.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Figure_4_Schematic_figure_KNAUER_eight_port_2_position_valve_for_2_D_LC_Graphic_by_KNAUER_f9a5f06f5f.jpg" alt="KNAUER: Figure 4 - Schematic figure KNAUER eight-port 2 position valve for 2D-LC (Graphic by KNAUER)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Figure_4_Schematic_figure_KNAUER_eight_port_2_position_valve_for_2_D_LC_Graphic_by_KNAUER_f9a5f06f5f.jpg 245w," sizes="100vw" width="756" height="391"><h4>Applying 2D-LC to Oligonucleotide Analysis</h4>In oligonucleotide workflows, 2D-LC combines two complementary separation strategies to address sample complexity. The first dimension is typically used for bulk separation based on properties such as size, charge, or polarity. Techniques such as size-exclusion chromatography (SEC), anion-exchange chromatography (AEX), ion-pair reversed-phase chromatography (IP-RP), hydrophilic interaction chromatography (HILIC), or mixed-mode chromatography (MMC) are commonly applied. This step reduces sample complexity and can also serve as an online desalting stage, removing salts and buffer components that could interfere with downstream detection, particularly when mass spectrometry is used.Following this initial separation, selected fractions are transferred to the second dimension. This transfer can be performed either selectively or comprehensively, depending on the analytical goal. The second dimension is typically optimized for high-resolution separation, allowing detailed characterization of closely related species such as truncated oligonucleotides, sequence variants, or chemically modified impurities. When coupled with mass spectrometry, this setup enables accurate identification and sequencing.A key advantage of 2D-LC lies in the flexibility of combining different stationary phases and mobile phase conditions.&nbsp;Numerous separation combinations are possible, including:<ul><li>SEC×AEX</li><li>HILIC×IP-RP</li><li>IEC×IP-RP</li><li>IP-RP×IP-RP</li><li>AEX×HIC</li><li>MMC×SEC,</li><li>and even chiral×RP systems.&nbsp;</li></ul>This adaptability allows tailored workflows for specific analytical challenges.<h4>Heart-Cutting vs. Comprehensive 2D-LC</h4>When implementing 2D-LC, two primary transfer strategies are commonly used: heart-cutting and comprehensive transfer. Each approach offers distinct advantages depending on the analytical objective.Heart-cutting 2D-LC focuses on selected regions of interest from the first dimension. Only specific peaks or time windows are transferred to the second dimension for further analysis. This approach allows extended separation time and higher resolution in the second dimension, making it particularly suitable for targeted investigations of known critical compounds. However, because only selected fractions are analyzed, unexpected impurities outside the selected region may remain undetected.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Figure_5_2_D_LC_Single_Heart_Cut_Principle_Graphic_by_KNAUER_b1b400784b.jpg" alt="KNAUER: Figure 5 - 2D-LC Single Heart-Cut Principle (Graphic by KNAUER)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Figure_5_2_D_LC_Single_Heart_Cut_Principle_Graphic_by_KNAUER_b1b400784b.jpg 245w," sizes="100vw" width="1276" height="319">In contrast, comprehensive 2D-LC transfers the entire eluate from the first dimension into the second dimension in a continuous manner. This approach provides a complete and detailed representation of the sample, making it ideal for research and development, impurity profiling, and regulatory applications. While more demanding in terms of speed and system performance, comprehensive 2D-LC ensures full sample coverage.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Figure_6_Full_Comprehensive_2_D_LC_Principle_Graphic_by_KNAUER_e13da63ef1.jpg" alt="KNAUER: Figure 6 - Full Comprehensive 2D-LC Principle (Graphic by KNAUER)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Figure_6_Full_Comprehensive_2_D_LC_Principle_Graphic_by_KNAUER_e13da63ef1.jpg 245w," sizes="100vw" width="1327" height="292">In practice, hybrid approaches may also be employed, combining targeted heart-cutting with broader comprehensive analysis to balance resolution and coverage.<h4>Practical Considerations for Method Development</h4>Successful implementation of 2D-LC for oligonucleotide analysis requires careful method design.&nbsp;<h5>1. Column selection&nbsp;</h5>It is a critical starting point, as the combination of stationary phases must provide sufficient orthogonality while maintaining compatibility between mobile phases. Typically, the first dimension is optimized for general separation of oligonucleotide size or class, while the second dimension focuses on sequence-specific resolution and compatibility with mass spectrometry.<h5>2. Mobile phase selection&nbsp;</h5>Differences in pH and organic modifiers can significantly influence separation behavior, but incompatibility between dimensions can compromise performance. Therefore, mobile phases must be designed as a coordinated system. The use of volatile buffers, such as ammonium acetate, is often preferred for MS-based detection.<h5>3. Instrumentation&nbsp;</h5>The switching valve must operate reliably under high pressure, with precise timing to ensure accurate fraction transfer. Loop volumes must be carefully selected to avoid overfilling, as excessive loading can lead to sample loss and distortion due to flow profile effects. As a general guideline, loops should not be filled beyond approximately 70% of their capacity.<h5>4. Method development&nbsp;</h5>Typically begins with optimization of the second dimension, as it dictates overall system timing. Fast separations using short columns and steep gradients are often required to maintain sufficient sampling frequency. Once the second dimension is established, the first dimension can be adjusted to achieve optimal resolution and compatibility.<h4>Final Remarks</h4>Two-dimensional liquid chromatography represents a powerful advancement in oligonucleotide analysis, enabling the resolution of complex mixtures that exceed the capabilities of conventional 1D approaches. By combining orthogonal separation mechanisms, 2D-LC reveals structural details and impurity profiles that would otherwise remain hidden.However, achieving optimal performance requires careful balancing of multiple factors, including column chemistry, mobile phase compatibility, system timing, and data acquisition. When properly implemented, 2D-LC provides a robust and highly informative platform for modern oligonucleotide characterization.<blockquote><ul><li>If you're planning to set up or optimize your oligonucleotide workflow, feel free to contact us at <a href="sales@knauer.net">sales@knauer.net</a>. Stay tuned for more exciting insights into the Oligonucleotide world in our “Oligos Made Easy” series.</li><li>For more in-depth discussion or questions, reach out to the author at <a href="kindler@knauer.net">kindler@knauer.net</a></li></ul></blockquote>

Oligos Made Easy - Part 9: 2D-LC

News from LabRulezLCMS Library - Week 14, 2026

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Thermo Fisher Scientific

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Based in Berlin, KNAUER is a medium-sized, owner-managed company that has been serving the sciences since 1962. We develop and manufacture scientific instruments of superior quality for liquid chromatography, including: Analytical HPLC/UHPLC, Preparative HPLC, Fast protein liquid chromatography (FPLC), Multi-column chromatography/Simulated moving bed (SMB) chromatography. High pressure dosing, in-line detection systems, and osmometry are additional business areas.

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Waters Corporation

Join us for the fourth SELECT SERIES MRT in Action deminar. In this installment of our series, we will show new levels of imaging clarity and confidence being obtained with MRT, at speeds that realize useful improvements in throughput.
In our applications demo lab we will show the simplicity of changing between MALDI and DESI XS modes, both available on the MRT instrument. We will also highlight new imaging workflows, enabled by micro apps, developed to extract meaningful information quickly.
The session will conclude with a live Q&amp;A where Emmanuelle Claude, Wei Rao and other members of the team, who will be on hand to answer all of your questions. 
Why Should You Attend?
<ul>
<li>Discover how the characteristics of the MRT aid mass spectrometry imaging workflows</li>
<li>Learn how the different imaging modes work to extend imaging coverage</li>
<li>Understand how MRT imaging data is processed through various workflows</li>
</ul>
<blockquote>
Presenter: Emmanuelle Claude (Consulting Scientist, Waters Corporation)
</blockquote>
<blockquote>
Emmanuelle Claude started at Waters Corporation in October 2000 as an Applications Chemist in the Proteomics and Genomics Marketing group, developing automated Peptide Mass Fingerprint (PMF) MS methods using a MALDI-TOF mass spectrometer. Over the years she developed several methods in the proteomics analytical space using MALDI TOF and naturally moved in starting the development of Mass Spectrometry Imaging (MSI) at Waters corporation over 15 years ago.
</blockquote>
<blockquote>
She has been involved with hardware and software R&amp;D to ensure that the solutions are fit-for-purpose for the MSI community and beyond. She has worked extensively with the main MSI leaders in Europe and the US such as Prof Heeren in the Netherlands, Prof Clench, Prof Takats and Bunch in the UK and Prof Caprioli in the US. She has been a Principal Scientist since 2014 and became a Consulting scientist in 2021. Emmanuelle is managing the MS imaging application team at Waters, who are involved in developing new applications and methods for imaging by both MALDI and DESI mass spectrometry.
</blockquote>
<blockquote>
Presenter: Wei Rao (Principal Applications Chemist, Waters Corporation)
</blockquote>
<blockquote>
Wei Rao is currently working as a Principal Applications Chemist in the European Applications Laboratory at Waters Wilmslow, focusing on MS imaging and ambient MS with the DESI XS platform. He has more than 12 years of ambient MS imaging experience, and has worked in various posts in the UK, US, China, and many countries within the APAC region, bringing with him a unique global perspective to the field.
</blockquote>

Accelerated Imaging Clarity

In our applications demo lab we will show the simplicity of changing between MALDI and DESI XS modes, both available on the MRT instrument.

Dear Orbitrap users,
We are pleased to invite you to our Autumn 2023 version of virtual activities to support our Compound Discoverer (CD) software users.
The workshops are designed to bring beginners up-to-speed with best practices as well as allow advanced users to interact with software experts and enquire how to get the most out of their data. Additionally, two dedicated sessions specialized in Metabolite/drug metabolite Identification (Met ID) and Gas Chromatography Mass Spectrometry (GCMS) data analysis will follow.
The content is delivered through online workshops, 2-3 hours each, via MS-Teams. The workshops feature live exercises on pre-distributed data, discussion of CD features, parameters, and optimized settings. The sessions are hands-on and highly interactive, so get the best experience by having CD 3.3 SP2 up and running. <a href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/multi-omics-data-analysis/compound-discoverer-software.html">Click HERE</a> to download a free 60-day trial version of the latest Compound Discoverer software release.
The sessions allow ample time for the participants to get their CD-related questions answered in real time. The workshops will be taught in English, but participants can use MS Team`s instant subtitles in their preferred language.
<h5>Specialized data processing:</h5>
<ul>
<li>Met ID: Wednesday 4th October: 10.00 - 13.30 CEST (Berlin time)</li>
<li>GCMS: Thursday 18th October: 10.00 - 13.30 CEST (Berlin time)</li>
</ul>

Thermo Scientific: Compound Discoverer software workshops (Specialized data processing: Met ID)

Compound Discoverer software workshops (Specialized data processing: Met ID)

The workshops are designed to bring beginners up-to-speed with best practices as well as allow advanced users to interact with software experts.

Compound Discoverer software (data processing: Met ID)

In this virtual Ask Me Anything session we are offering you a chance to delve into the fascinating world of PFAS (Per- and Polyfluoroalkyl Substances).
We are honored to present Dr. Carol Kwiatkowski, a distinguished science and policy senior associate from Green Science Policy, as our esteemed guest.
Dr. Kwiatkowski will be your guide, providing expert insights and answering all your questions about PFAS. From its profound health and environmental concerns to the ever-evolving landscape of regulations, restrictions, and detection techniques. No question is off limits! 
During this session, you can expect to:
<ul>
<li>Engage in a Live Q&amp;A: Seize the opportunity to directly interact with Dr. Kwiatkowski, posing your most thought-provoking questions, and receive real-time, well-informed answers.
</li>
<li>Gain Expert Perspectives: Immerse yourself in a vibrant exchange of ideas, as Dr. Kwiatkowski shares her profound insights on questions posed by fellow participants.
</li>
</ul>
<blockquote>
Presenter: Dr. Carol Kwiatkowski (Adjunct Assistant Professor, North Carolina State University)
</blockquote>

Technology Networks: Ask Me Anything: PFAS

Ask Me Anything: PFAS

Delve into the fascinating world of PFAS.

Ion Mobility (IM) advancements in Software, Data Bases, AI and Machine learning are quickly improving capabilities to make unknown identifications, separate and ID isomers, as well as improve workflows associated with metabolomics, lipidomics, PFAS, and qual-quant screening.
In addition, IM measurements are significantly improved with HRdm High Resolution Demultiplexing. This is the first commercial IM instrument to enable the simultaneous combination of high drift resolution, while at the same time achieving all four of the following measurement capabilities: broad mass range in a single injection, multiplexing to increase sensitivity, compatibility with fast chromatographic acquisition rates , and highest precision in CCS measurements. For more accurate CCS predictions, the better precision in the CCS training set improves AI machine learning SW. This can significantly reduce the number of potential candidate structures to select from when making unknown identifications.
<blockquote>
Presenter: Carrie McDonough, PhD (Carnegie Mellon University)
</blockquote>

Agilent Technologies: Towards more Comprehensive Characterization of PFAS Exposure using Ion Mobility and High-Resolution Mass Spectrometry

Towards more Comprehensive Characterization of PFAS Exposure using Ion Mobility and High-Resolution Mass Spectrometry

Towards more Comprehensive Characterization of PFAS Exposure using Ion Mobility and High-Resolution Mass Spectrometry.

Characterization of PFAS Exposure using IM and HRMS

Emerging therapies like Synthetic Peptides &amp; Oligonucleotides are catching the attention due to its capabilities to improve their physicochemical and biological properties, such as efficacy, stability, bioavailability, safety, etc.
These require thorough understanding &amp; analysis of these molecules and exclusive strategies to quantify these molecules in various biological matrices.
<blockquote>
Presenter: Dr. Ravi Shah (M.S.; PhD), (Head of the Department - Pharmaceutical Analysis, National Institute of Pharmaceutical Education and Research - Ahmedabad)
</blockquote>
<blockquote>
Dr. Ravi is Head of the Department of pharmaceutical analysis at NIPER- Ahmedabad. He has received his M.S. (Pharm) and PhD from NIPER, Mohali under the guidance of Prof. Saranjit Singh. Before joining back to academic research, he served at various levels in industry to understand the needs of pharma sector. He had started his career with Biocon-BMS research and development center, where he was responsible for analytical activities related to IND and NDA fillings of drug discovery leads. Post drug discovery understanding, he joined Dr. Reddy’s in 2015 as associate director and department head for Analytical R&amp;D Bangalore facility to learn generic drug development. He gathered vast experience on analytical method development, and regulatory requirements pertaining to DMF/ ANDA fillings at US and EU. He also worked significantly on complex generics for getting pharmaceutical equivalence through robust CQA, CPP and CMA correlations through QbD approaches.
</blockquote>
<blockquote>
He has published many research articles in almost every international analytical journal like Analytical Chemistry, Drug Testing and Analysis, Journal of Chromatogaphy A,Journal of Chromatogaphy B,Journal of Pharmaceutical and Biomedical Analysis, Trends in Analytical Chemistry, Analytical Methods, Analytical and Bioanalytical Chemistry, Rapid communications in mass spectrometry etc.
</blockquote>
<blockquote>
Presenter: Dr. Ashish Pargaonkar (Biopharma Workflow Commercialization Lead, Agilent Technologies)
</blockquote>
<blockquote>
Dr. Ashish Pargaonkar is a Lead for Biopharma Workflow Commercialization team for India and also Manager for Centre of Excellences at Bangalore. A Microbiologist by education with a Ph.D, he holds more than 20 years of experience for Biopharma market applications on Hi Resolution Mass Spectrometry. He has a long record of successful demonstrations and customer engagements on workflows for CQA’s, Intact mass, peptide mapping, HCP and Glycans using Agilent state-of-the art solutions. He has authored ASMS posters on media components and therapeutic peptides. Dr. Ashish has been invited speaker at several conferences and workshops at Biosimilar Congress, ADC 2018, IIT (Mumbai, Delhi), ICT (Mumbai), PSI events.
</blockquote>
<blockquote>
Presenter: Ms. Paramjeet Khandpur (Biopharma Workflow Commercialization Lead, Agilent Techologies)
</blockquote>
<blockquote>
Paramjeet Khandpur, M.Tech., holds a bachelor’s degree in chemical engineering from VTU University and a Master&#39;s in Bioprocess Technology from the Institute of Chemical Technology, Mumbai. Paramjeet is currently the Biopharma Workflow Commercialization Lead at Agilent. In this role, she leverages her expertise to deliver comprehensive workflow solutions and offer support to customers, catering to their analytical requirements across the Biopharma value chain.
</blockquote>
<blockquote>
Previously, she worked as an Application Engineer at Agilent&#39;s Centre of Excellence Lab in Bangalore, specializing in various liquid chromatography platforms. She also collaborated with users in the Pharma and Biopharma industry for method development, troubleshooting, and method transfer.
</blockquote>

Agilent Technologies: Get the Perfect Answer for Synthetic Peptides & Oligonucleotides

Get the Perfect Answer for Synthetic Peptides & Oligonucleotides

Emerging therapies like Synthetic Peptides & Oligonucleotides are catching the attention due to its capabilities to improve their properties.

Get the Perfect Answer for Synthetic Peptides

This webinar highlights the importance of impurity testing in pharmaceuticals and how ion chromatography can provide excellent sensitivity and selectivity when testing for ionic impurities.
The management and control of pharmaceutical impurities is a matter of great concern and is an important part of drug development and regulatory assessment.
Current regulations and guidelines demand a comprehensive understanding of the impurity profile of pharmaceutical products, as their safety and quality can be impacted by these impurities.
The ICH quality guidelines ICH Q3A and Q3B address questions related to the regulation of impurities in the drug substance and drug product, whereas other ICH quality guidelines address specific types of impurities, such as residual solvents and mutagenic impurities.
This webinar explores the different kinds of impurities that may be present in pharmaceutical products and how ion chromatography (IC) is the analytical tool of choice to meet regulatory authorities’ requirements and in defining effective control strategies.
Learn how ion chromatography can help to automate impurities analysis workflows. Inline sample preparation techniques will also be discussed.
Key takeaways:
<ul>
<li>Understand the origins of impurities in pharmaceuticals and why impurity profiling is important
</li>
<li>Gain insight into the regulations surrounding impurities analysis in pharmaceuticals
</li>
<li>Learn about how ion chromatography makes an ideal technique for the analysis of ionic impurities, offering enhanced sensitivity and selectivity, and helping to automate and simplify workflow.
</li>
</ul>
<blockquote>
Presenter: Daniel Pereira (Senior Scientist, Regulatory Affairs, Hovione)
</blockquote>
<blockquote>
Daniel Pereira has been an analytical scientist at Hovione since 2018 and is currently a Senior Scientist of the chemical characterisation team in the R&amp;D Analytical Development Area. He has extensive expertise in the field of chemical characterisation techniques with focus in several chromatography techniques and in the development and optimisation of analytical methods following AQbD approach. Daniel holds a bachelor´s degree in Pharmacy from University of Rio de Janeiro, Brazil and a MSc in analytical chemistry form Minho University, Portugal.
</blockquote>
<blockquote>
Presenter: Linx Waclaski (IC Product Manager, Metrohm USA)
</blockquote>
<blockquote>
Linx Waclaski is the Product Manager for Ion Chromatography at Metrohm USA, in Riverview, Florida. He has years of experience in multiple chromatographic techniques, including ion chromatography, gas chromatography, liquid chromatography, and mass spectrometry, with extensive experience in R&amp;D and applications development. He has an MS in Forensic Science and a BA in Biochemistry from Duquesne University in Pittsburgh, Pennsylvania, US.
</blockquote>

Metrohm: Analysis of impurities in pharmaceuticals using ion chromatography

Analysis of impurities in pharmaceuticals using ion chromatography

The importance of impurity testing in pharmaceuticals and how ion chromatography can provide excellent sensitivity and selectivity.

Analysis of impurities in pharmaceuticals

This online event is aimed at those working within academia and pharmaceutical drug development, who want to hear from experts across their field. Focus will be given to the latest advances in small molecule drug discovery and development, biopharma and biotechnology.
This online symposium will cover:
<ul>
<li>Accelerating drug discovery through AI
</li>
<li>Molecular dynamics simulations for novel drug targets
</li>
<li>Allosteric small-molecule activation of PI 3-kinase for cardioprotection and neuroregeneration
</li>
<li>Analytical solutions for challenging nitrosamine quantitation using LC-MS
</li>
<li>Screening in organoids and complex 3D assays using high-content imaging
</li>
<li>Paucity of novel oncology targets
</li>
<li>An interactive Ask-Me-Anything session where you can pose your questions to thought leadership experts at the forefront of biopharmaceutical commerce
</li>
</ul>
<h3>Agenda Day 2</h3>
<h5>16:00 – 16:30 Screening in Organoids &amp; Complex 3D Assays Using High Content Imaging</h5>
<ul>
<li>Speaker: Michiel Fokkelman, PhD</li>
</ul>
<h5>16:30 – 16:40 Networking Break</h5>
<h5>16:40 – 17:00 Enhancing Safety and Quality Assurance in Cell Based Therapies and ATMPS: The Power of Rapid NAT-Based Mycoplasma Detection</h5>
<ul>
<li>Speaker: Michael Brewer</li>
</ul>
<h5>17:00 – 17:10 Networking Break</h5>
<h5>17:10 – 18:00 Call to Action: Critical Need to Address the Paucity of Novel Oncology Targets</h5>
<ul>
<li>Speaker: Brian D. Lamon, PhD</li>
</ul>
<h5>18:00 – 18:10 Networking Break</h5>
<h5>18:10 – 18:30 Target Discovery and Validation with Arrayed Cell Libraries</h5>
<ul>
<li>Speaker: Alexander Brown, PhD</li>
</ul>
<h5>18:30 – 18:40 Networking Break</h5>
<h5>18:40 – 19:30 To Improve the Selectivity and Sensitivity of Chimeric T-Cell Receptor for Treating Solid Tumours</h5>
<ul>
<li>Speaker: Chun Wu, PhD</li>
</ul>
<blockquote>
Presenter: Joshua Smith, PhD (Global Lead for Industry Partnerships, IBM Research)
</blockquote>
<blockquote>
Presenter: Dr. Chun Wu (Associate Professor, Departments of Chemistry &amp; Biochemistry and the Biological Biomedical Sciences – Rowan University)
</blockquote>
<blockquote>
Presenter: Dr. Bart Vanhaesebroeck (Professor, Cancer Institute, University College London)
</blockquote>
<blockquote>
Presenter: Dr. Grace Gong (Research Fellow, Cancer Institute, University College London)
</blockquote>
<blockquote>
Presenter: David Pardoe (SVP Global Molecular Architects, Evotec)
</blockquote>
<blockquote>
Presenter: Carla Marchioro (VP Scientific Director Global Molecular Architects, Evotec)
</blockquote>
<blockquote>
Presenter: Jack Steed (Senior Technical Marketing Specialist, Sciex)
</blockquote>
<blockquote>
Presenter: Michael Brewer (Director, Global Principal Consultant, Regulatory, BioProduction, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Presenter: Michiel Fokkelman, PhD (Head of High Throughput Screening, Crown Bioscience Netherlands)
</blockquote>
<blockquote>
Presenter: Brian Lamon, PhD (Senior Vice President, Chief Business Officer and Head of BioPharma Business Development, Caris Life Sciences)
</blockquote>
<blockquote>
Presenter: Alexander Brown, PhD (Associate Director ECLIPSE Development, Synthego)
</blockquote>
<blockquote>
Presenter: Mike Ward (Global Head of Life Sciences &amp; Healthcare Thought Leadership, Clarivate plc)
</blockquote>

LabRulez/AI: Advances in Drug Discovery & Development 2023

Advances in Drug Discovery & Development 2023 (Day 2)

The latest advances in small molecule drug discovery and development, biopharma and biotechnology.

Advances in Drug Discovery & Development 2023 (Day 1)

Comparing MS spectra to libraries of reference spectra is one of the most widely used and successful methodologies in the identification of unknown mass spectra. Using this approach, access to an expansive, quality dataset is critical to achieving reliable results.
In this session we will introduce the latest release of the Wiley Registry® / NIST Mass Spectral Library 2023, which combines the power of two trusted MS spectral libraries to provide comprehensive compound coverage and ensure identification across multiple use cases and a wide variety of analytes.
In this session, we will also demonstrate through a series of live examples how this library can be used to successfully identify unknown spectra.
<blockquote>
Presenter: Dr. Nadia Laschuk
</blockquote>
<blockquote>
Dr. Nadia Laschuk is a Product Manager for Wiley Science Solutions, for which she manages new products and databases while supporting existing KnowItAll capabilities. Nadia previously completed her PhD in Materials Science from Ontario Tech University, where she performed research applying a wide array of instrumental techniques to analyze metal-organic coordination compounds. Nadia has since pursued cheminformatics and software, joining Wiley in 2022.
</blockquote>

Wiley: Increase the Likelihood of MS Identification with the Wiley Registry / NIST Library

Increase the Likelihood of MS Identification with the Wiley Registry / NIST Library

The latest release of the Wiley Registry® / NIST Mass Spectral Library 2023, which combines the power of two trusted MS spectral libraries.

MS Identification with the Wiley Registry / NIST Library

Introducing Shimadzu’s Multimodal Imaging System, designed to provide advanced clinical imaging and accelerate research breakthroughs. The powerful system consists of two instruments: the Laser-ablation ICP-MS, which acquires information on the element distribution, and the award-winning iMScope QT MALDI-MS Microscope, which provide information on the compound distribution. The data from both instruments can be seamlessly analyzed using the intuitive IMAGEREVEAL MS software without the need for special data conversion. This integrated data analysis unlocks unparalleled insights into the spatial distribution of elements and biomolecules within tissues and cells, thereby opening up new avenues for diagnostics, biomarker discovery, and drug development.
Join us at our Shimadzu Digital Classrooms as we delve into the world of Multimodal Imaging by exploring real-world application case studies. Experience firsthand how this cutting-edge technology, together with integrated data analysis, provides profound insights quickly and accurately to advance clinical research.
Don&#39;t miss this opportunity to discover the capabilities of Shimadzu&#39;s multimodal imaging system - Register now!
<h3>Learning Objectives:</h3>
<ul>
<li>Discover capabilities of Shimadzu&#39;s Multimodal Imaging System, integrating LA-ICPMS and MALDI-MS Microscopy</li>
<li>Gain comprehensive insights into Shimadzu&#39;s complete solution for LA-ICP-MS</li>
<li>Learn about Shimadzu iMScope QT, a Next-Generation Mass Spectrometry Imaging system</li>
<li>Explore real-world clinical application case studies leveraging the Multimodal Imaging approach</li>
</ul>
<blockquote>
Presenter: Pravin Konde, PhD (Senior Product Specialist, Shimadzu (Asia Pacific) Pte Ltd)
</blockquote>
<blockquote>
Pravin Konde is a Senior Product Specialist (for Spectroscopy &amp; TOC) at Shimadzu Asia Pacific Singapore. He has about 15 years of industry experience of which about 12 years in analytical instruments with expertise in trace element analysis and spectroscopy applications. He is engaged primarily in technical support to regional sales teams and customers. Prior to joining industry, he has done his PhD in Chemistry from Institute of Chemical Technology (formerly UDCT), Mumbai, India.
</blockquote>
<blockquote>
Presenter: Naatasha Isahak, PhD (Product Specialist (Life Sciences), Shimadzu (Asia Pacific) Pte Ltd)
</blockquote>
<blockquote>
Naatasha Isahak is a Product Specialist for MALDI and Life Sciences Products from Shimadzu Asia Pacific Pte Ltd. She has received her PhD from the University of Sydney (Chemistry) working on surface initiated polymerisation on silica nanoparticles using RAFT polymerisation and bioorthogonal conjugation of peptides using Native Chemical Ligation. She then spent 5 years working on developing platforms for stem cells and organoids characterization that included working with microfluidic devices and helical polymers. Naatasha joined Shimadzu in 2022 to expand her experiences to MALDI characterization on materials and biological samples.
</blockquote>

Shimadzu: Powerful Multimodal Clinical Imaging System with LA-ICP-MS and MALDI-MS Microscopy

Powerful Multimodal Clinical Imaging System with LA-ICP-MS and MALDI-MS Microscopy

LA-ICP-MS, which acquires information on the element distribution & iMScope QT MALDI-MS Microscope, which provide information on the compound distribution.

Clinical Imaging with LA-ICP-MS and MALDI-MS Microscopy

The successful development of effective mRNA-based vaccines to fight Covid-19 has created a boost in acceptance and application of this strategy for other vaccines and also related drug products. Consequently, the demand to analytically characterize these new modalities has risen, challenging the state-of-the-art analytical approaches to keep pace.
In this webinar we showcase how novel techniques together with modern instrumentation and data analysis software can further the understanding of this new drug class, thereby ensuring the efficacy and safety of the drug product.
The identity and sequence validation of the mRNA after limited endonuclease digestion and mass spectrometric sequence confirmation is demonstrated. Tips and tricks for successful method development and data handling in Biopharma finder software will be presented, including the use of the software to address 5’-Capping and poly(A) tail characterization.
We hope to see you there! 
<h3>Learning points:</h3>
<ul>
<li>How novel techniques together with modern instrumentation and data analysis software can further the understanding of this new drug class, thereby ensuring the efficacy and safety of the drug product.</li>
<li>Demonstration of identity and sequence validation of the mRNA after limited endonuclease digestion and mass spectrometric sequence confirmation</li>
<li>Tips and tricks for successful method development and data handling in Biopharma finder software</li>
</ul>
Who should attend:
<ul>
<li>Biopharmaceutical Research Scientists </li>
<li>Analytical Scientists from Biopharma companies working on or interested in oligonucleotide-based therapies. </li>
<li>PhD students in any field of biotherapeutic drug development </li>
<li>Scientists looking to advance knowledge of oligonucleotide analysis.</li>
</ul>
<blockquote>
Presenter: Dr. Alexander Schwahn (European Application Expert for BioPharma Industry, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Presenter: Aude Croguennec (Moderator, Regional Marketing Manager, Thermo Fisher Scientific)
</blockquote>

Thermo Fisher Scientific: Characterization of mRNA-based therapeutics with (U)HPLC and HRAM mass spectrometry

Characterization of mRNA-based therapeutics with (U)HPLC and HRAM mass spectrometry

In this webinar we showcase how novel techniques together with modern instrumentation and data analysis software.