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Upcoming Webinars

In an ideal world, most of a chemists’ time would be spent purely on solving complex scientific problems, performing chemistry at the bench, and changing the world one molecule at a time. However, the day-to-day reality involves many more trivial and time-consuming tasks related to their work, including drawing molecules, schemes, and reporting on the work they have done. But what if there was another way?   Join Lindsey Rickershauser, ChemDraw Product Manager, and Pierre Morieux, a.k.a ChemDraw Wizard, to learn about the newest capabilities that will empower you to create visually compelling beautiful chemical drawings more efficiently, easily depict your research whether you are working on small molecule or peptide/nucleotide chemistry and expedite mundane tasks such as managing molecules and reactions as well as everyday reporting.   Key Learning Objectives: Join us to learn how powerful capabilities in the latest v22 release of ChemDraw and ChemOffice can dramatically increase your productivity and accelerate your research by enabling you to:   Transform the way your chemistry presentations look with beautiful native colored 3D renderings of your molecules Quickly and easily represent and share complex natural and unnatural biopolymer and oligonucleotide sequences Improve the efficiency of your research by drawing entire complex reactions schemes in minutes with new hotkeys and improved shortcuts. Who Should Attend: Chemists Peptide Chemists Oligonucleotide Chemists Research Chemists Organic Chemists Inorganic Chemists Organometallic Chemists Polymer Chemists Ph.D. Students and Post-Docs Patent Attorneys Brought to you by: Lindsey Rickershauser, Ph.D. ChemDraw Product Manager, PerkinElmer Informatics Pierre Morieux, Ph.D. Chemistry Product Marketing Manager, ChemDraw Wizard, PerkinElmer Informatics Melissa O'Meara Forensic Science Consultant, C&EN Media Group
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Hydrogen (H2) is the simplest and most abundant element in the universe. Since, it only occurs naturally on Earth when combined with other elements it must be produced from other sources. It can be produced without a carbon footprint from variety of sources, including natural gas, coal, biomass, waste materials, or by splitting water molecules. Hydrogen fuel consumption is not currently widespread, but there has been a growing interest in its use as a potential energy source across the economy. As hydrogen is increasingly adopted, strict requirements have been imposed to limit pollution from any impurities in the gas. Specifications for the purity of hydrogen used in other applications are also becoming more stringent. Hydrogen is used in the manufacturing and processing of large-scale integrated circuits (ICs), smelting and processing of high-purity metals, development and production of liquid hydrogen and its derivative products. In this presentation we will discuss Agilent’s current gas chromatography solutions to analyzing trace level impurities in hydrogen.    In this webinar we will discuss the gas chromatography and how it is used to analyze trace impurities in hydrogen gas. We will review what impurities are important to hydrogen analysis and we will discuss the different techniques used to accomplish these analyses. We will cover basic chromatography concepts along with specialized detectors such as PDHID, FID, TCD, MSD, SCD, and NCD.    Key Learning Objectives: Learn why hydrogen analysis is important.  Learn which impurities are important in hydrogen analysis.  Learn techniques necessary to analyze these impurities. Who Should Attend: Laboratory managers  Chromatographers  New product developers  Brought to you by: Shannon Coleman GC Application Scientist, Agilent Technologies Catherine Dold Health & Environment Writer, C&EN Media Group
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Selection of the correct molecule and an understanding of its behavior in-vivo and any potential risks to progression are critical in the development of new medicines. Frequently pharmaceutical scientists are asked to make more decisions earlier in the development process and with less material.    Historically, the measurement of dissolution rate to assess the properties of an Active Pharmaceutical Ingredient (API) has been performed at later stages of development for quality control purposes rather than to select molecules or determine possible performance risks. This approach typically uses large amounts of material and does not provide a fundamental or mechanistic understanding on the behavior of the material or highlight its potential failure modes, and in many cases provide little correlation to changes that could potentially occur in vivo.    GSK will discuss how it uses a suite of tools, including Pion’s range of fiber optic dissolution and UV imaging techniques, to aid the characterization of API’s to improve molecule selection and help identify differences due to changes in various physChem properties.    Key Learning Objectives: Solubility and dissolution assessment and characterization at different phases of pharmaceutical development. Novel dissolution methodologies to support molecule and formulation approaches for new chemical entities. Determination of risk analysis for changing product performance due to the presence of different polymorphic forms, versions or non-robust formulations. Learn from case studies using UV dissolution data to select, characterize or troubleshoot real molecules currently in research and development, and how this data correlated or supported more traditional pharmaceutical analysis tests such as USP II dissolution.  Who Should Attend: Pharmaceutical analysts, laboratory technicians and formulation scientists (Industrial Pharmacists), anyone interested in the use of novel dissolution tools to help support molecule and drug product development. Brought to you by: Speakers: Wayne Matthews Principal Investigator R&D, Drug Substance Development, Materials Science UK Catherine Dold Health & Environment Writer C&EN Media Group
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Tuesday, November 29, 2022
Fragment-based drug discovery (FBDD) is a method used for finding hit compounds as one strategy of hit identification in the drug discovery process. Fragments are small molecules with a low molecular weight, smaller than lead molecules or druglike molecules. The FBDD technology is based on identifying small chemical fragments, which bind to the biological target and which are then optimized into leadlike and druglike molecules. In contrast to high throughput screening (HTS) where libraries of millions of compounds with molecular weights of around 500 Da are tested and nanomolar binding affinities are found, fragments come from much smaller libraries and show weaker binding affinities. They still make good starting points for drug discovery.    In contrast to hit identification by HTS the conditions for FBDD are different. A smaller fragment library, fragment hits with weaker affinities, the need for guidance by structure information and the use of compound metrics in the optimization are central elements of FBDD. The webinar will give insight into this technology and will show how FBDD can be successfully applied for the identification of novel and potent lead compounds   Key Learning Objectives: Basics of how the FBDD works  How FBDD can be successfully applied Well established assays for FBDD  Who Should Attend: Senior project managers of drug discovery/R&D  Senior directors of drug discovery/R&D  Senior scientists of drug discovery/R&D, including senior medicinal chemist, senior biology/protein science scientist, etc. Drug discovery researchers (Professors/PIs from academy)  Brought to you by: Speakers: Moran Jerabek-Willemsen, PhD Head of Biophysics & Screening, WuXi AppTec HitS Andreas Schoop, PhD Head of Medicinal Chemistry, WuXi AppTec HitS Jeff Huber Contributing Editor, C&EN Media Group
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Wednesday, November 30, 2022
Artificial intelligence is often described as "the future" of product development, but this is just the beginning. The world's most agile and innovative materials and chemicals companies are currently deploying this technology today to:    • Accelerate the development and deployment of sustainable, high-performing products    • Respond to a changing supply chain and regulatory landscape    • Improve customer responsiveness    Our industry is changing - it is not hype. Are you and your organization ready to use digital and AI-based tools to drive product, operational, and technical excellence?    In this webinar, you'll learn about the characteristics of success and key takeaways from Citrine Informatics 8+ years of helping customers in the materials and chemicals industry apply AI to product development challenges.    Key Learning Objectives: How materials and chemicals companies are using AI today to accelerate product development.  The characteristics that have led to commercial success of AI-driven product development.  Key considerations for applying AI to R&D.  Who Should Attend: Executives and business leaders   Product developers and researchers  R&D and innovation leaders  Lab managers  Engineers, chemists, and materials scientists  Brought to you by: Speakers: Josh Tappan Director of Marketing, Citrine Informatics Dr. Jacob Mohin Senior Data Solutions Engineer, Citrine Informatics Melissa O'Meara Forensic Science Consultant, C&EN Media Group
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Recent years have seen a huge surge of interest in oligonucleotide therapeutics, fueled by major advances in our understanding of how to make such molecules stable, selective, and efficient as drug modalities. The field is now diverse in terms of therapeutic areas being addressed, biological processes being manipulated and delivery technologies employed. This webinar will present recent developments in oligonucleotide chemistry, biology, and DMPK.     Our speaker panel of experts are involved in providing state of the art technical support to the discovery stages of an oligonucleotide therapeutic program. They will review the synthesis and modification of oligonucleotides, design and execution of suitable in vitro and in vivo assays, and methods for determining pharmacokinetic parameters. Finally, our expert panel will be available for a question-and-answer session.    Key Learning Objectives: Examine the synthesis and modification of oligonucleotides  Explore methods for determining pharmacokinetic parameters Hear about state-of-the-art discovery strategies Who Should Attend: Professionals working in the following areas of oligonucleotide science: Drug Discovery, Preclinical, RNA Biology/Discovery, Novel Therapeutic Modalities    Brought to you by:   Speakers: Dave Madge Vice President, WuXi AppTec Qiong Zhou Executive Director, Discovery Biology, WuXi AppTec Jun Zhou Senior Principal Scientist, Associate Director, WuXi AppTec Nan Zhao Principle Scientist III, DMPK Service Department, WuXi AppTec Catherine Dold Health & Environment Writer, C&EN Media Group
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Accelerated solvent extraction is a high-temperature and high-pressure extraction technique that is widely used in environmental, chemical, and food analysis. Discover a truly new technology that has pushed accelerated solvent extraction to the next level. For the first time, a true walkaway, sample-to-vial system is available which brings tremendous improvements to processing solid and semi-solid samples for POPs analysis, making the lab more productive and reducing costs.     In this presentation, we discuss a new parallel extraction protocol for pursuing extractions in gas-assisted extraction mode followed by quantitation for persistent organic pollutants (POPs). We present here performance data of the new method for analyte extraction and evaporation in the same platform from soil samples for different POPs (dioxins, furans, and PCBs). Unlike traditional methods such as liquid-solvent extraction followed by N2 stream evaporation, the fully automated solvent extraction and evaporation system saves time, solvent, and labor, while ensuring high reproducibility and productivity for analytical testing.    Key Learning Objectives: Improve your sample preparation process with a more efficient way of extracting organic compounds from solid samples     Discover a true, walk-away sample to vial workflow which will allow you and your team to accomplish more important tasks in your lab.    See how combining and automating the extraction and evaporation process while processing 4 samples in parallel provides you with better efficiency and productivity   Who Should Attend: Lab managers/Lab directors  Lab technicians  Academic researchers  Research scientists/chemists  Brought to you by: Speakers: Chris Shevlin Scientific and Educational Affairs Manager, Ion Chromatography and Sample Preparation, Thermo Fisher Scientific Matthew MacLennan Senior Scientist and Director, LC/MS/MS DevOps, Pacific Rim Labs Catherine Dold Health & Environment Writer, C&EN Media Group
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Oligonucleotides (oligos) have become fast-growing modalities in recent years. Along with the development of these candidates has come the increased need for robust analytical methods and easy-to-use data analysis workflows to characterize them. Critical quality attributes of oligos include their mass, purity, and sequence – each of which can be difficult, time consuming, and tedious. As such, software that supports these efforts can be of great value. In this work, we present novel, automated, and integrated software to support these workflows using LC HRAM MS instruments. Purity and sequencing data are presented for a multitude of oligos including antisense, aptamer, and long synthetic samples.   Key Learning Objectives: Techniques for analyzing the critical quality attributes (CQAs) of oligos — including their mass, purity, and sequence How novel, automated, and integrated software can facilitate the analysis of oligo CQAs using LC–HRAM MS instruments. Purity and sequencing data for a multitude of oligos including antisense, aptamer, and long synthetic samples Who Should Attend: Researchers analyzing the critical quality attributes (CQAs) of oligos — including their mass, purity, and sequence Chromatographers Researchers interested in using LC–HRAM MS instruments for determination of oligo mass, purity and sequence Brought to you by: Speakers: Peter Rye Application Engineer Pre Sales, Agilent Technologies Melissa O'Meara Forensic Science Consultant, C&EN Media Group
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Proteolysis-targeting chimeras (PROTACs) are a class of bifunctional molecules which are enabling the development of drugs against targets once considered inaccessible.  PROTACs bring a protein of interest into close-proximity to an E3 ubiquitin ligase, resulting in the degradation of the target protein by the ubiquitin-proteasome system.  The design, synthesis, and optimization of PROTACs can be quite challenging due to their complicated mechanism of action and relatively high molecular weight and size.   This webinar will focus on aspects related to PROTAC discovery and chemistry workflows, such as ligand finding strategies, synthesis optimization, and linker design.  Successful development of bifunctional molecules requires a deep understanding of multiple processes, including biophysical events which dictate induced proximity and how technologies such as DNA-encoded libraries (DEL) can be leveraged to identify binders of target proteins.  These topics will be discussed within the context of PROTAC lead optimization.   Key Learning Objectives: Leveraging DNA-encoded libraries (DEL) to identify binders to target proteins Accelerating the optimization of PROTACs towards preclinical candidate selection PROTAC Discovery and Chemistry Workflows Who Should Attend: Scientists and researchers interested in protein degradation workflows Brought to you by: Speakers: Kris Rutten Director, WuXi AppTec Jason Deng Senior Director, DEL Biology, WuXi AppTec Lei Zhou Executive Director, WuXi AppTec Ann Thayer Contributing Editor, C&EN Media Group
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Proteolysis-targeting chimeras (PROTACs) are a class of bifunctional molecules which are enabling the development of drugs against targets once considered inaccessible.  PROTACs bring a protein of interest into close-proximity to an E3 ubiquitin ligase, resulting in the degradation of the target protein by the ubiquitin-proteasome system.  Due to the complex mechanism of action of PROTACs, developing a clear understanding of structure-activity relationships can be quite challenging.   This webinar will focus on PROTAC biology workflows, such as in vitro screening assays, in vivo testing, and optimization of DMPK properties. Topics will include the best use of biochemical assays to measure binary/ternary complex formation, cell-based assays to assess target engagement and degradation, strategies for enhancing drug delivery and formulation, and PK/PD evaluation of PROTACs in animal models. Key Learning Objectives: PROTAC biology workflows, including in vitro screening assays, in vivo testing, and optimization of DMPK properties Strategies for enhancing drug delivery and formulation PK/PD evaluation of PROTACs in animal models Who Should Attend: Scientists and researchers interested in protein degradation workflows Brought to you by: Speakers: Kris Rutten Director, WuXi AppTec Lingbing Sun Director, Biophysics, WuXi AppTec Dr. Liping Ma Senior Study Director, WuXi AppTec Liang Mao Senior Director, WuXi STA, a WuXi AppTec Company Ann Thayer Contributing Editor, C&EN Media Group
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The importance of glucuronidation for metabolism of xenobiotics in humans is illustrated by the abundance and broad tissue distribution of the enzymes, the diversity of substrates and reactions catalyzed, and the number of distinctive UGT enzymes and their genetic polymorphisms.   The involvement of UGTs in metabolism of new drug candidates will be presented as it underscores the enzymes’ importance from regulatory and safety perspectives. Basic biochemical characteristics of UGTs will be reviewed and examples of major forms of glucuronides formed in humans will be presented. Distinctive properties of acyl-glucuronides and their significance for drug-drug interactions will be highlighted. Factors contributing to underprediction of UGTs’ in vivo contributions to the metabolism of xenobiotics will also be covered. Laboratory approaches aimed at improving these predictions will be covered, as well.   Key Learning Objectives: Significance of UGT-mediated metabolism in drug development process Consequences of formation of acyl-glucuronides Underprediction of in vivo UGT-mediated metabolism Who Should Attend: Research scientists and drug development leadership aiming for successful IND / NDA submission, needing to meet regulatory requests and expectations, desiring to formulate a development plan that mitigates risks of late-stage failure, or simply wanting to better understand the ADME properties and potential DDI risks of their compound. Brought to you by: Speakers: Maciej Czerwinski, Ph.D. Director of Scientific Consulting, XenoTech Kelly McSweeney Contributing Editor, C&EN Media Group
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IR and Raman spectroscopy are well established, mature techniques present nowadays in most analytical laboratories.  However, they do pose several key fundamental limitations. The new breakthrough technique of Sub-micron Optical Photothermal Infrared (O-PTIR) Spectroscopy overcomes the limited spatial resolution of traditional IR microscopy with submicron resolution and the limited sensitivity and fluorescence interference limitations of Raman microscopy.    Furthermore, O-PTIR is able to bring together the complementarity of IR and Raman into a single platform, single measurement for the first time, enables sub-micron, simultaneous IR+Raman microscopy delivering IR and Raman spectra from the same spot, at the same time with the same spatial resolution.    This webinar discusses this novel technique and provides numerous application examples.   Part 1: Introduction & Overview by Dr. Mustafa Kansiz   Overview of current direct IR (FTIR & QCL) and Raman micro spectroscopic techniques and Fluorescence Microscopy  Introduction to Submicron O-PTIR and simultaneous Raman microscopy (IR+Raman) and the benefits of co-located Fluorescence  Various application examples of particulates, materials science and more   Part 2: Review of Environmental Applications by Dr. Andrew Ault Microplastics, environmental   Dr. Ault will present the results of his group's recent publication on an important source of atmospheric particles - Sea Spray Aerosols (SSA).     In this work, they characterize individual SSA particles using new generation submicron simultaneous IR+Raman (O-PTIR) microscopy for organic profiling, combined with EDX for elemental profiling.    Dr. Ault will also talk to his recent research relating to microplastics.   Key Learning Objectives: Understand the principle of operation of O-PTIR for submicron IR spectroscopy Learn about specific applications of submicron simultaneous IR and Raman  How O-PTIR can advance your research goals and increase the impact of your publications  Who Should Attend: Laboratory Directors and Managers   Research Professors and Academics Regional Water Board Researchers Industrial Failure Analysis Engineers Chemical and Polymer Engineers and Scientists Vibrational Spectroscopists   Brought to you by: Speakers: Dr. Mustafa Kansiz Director of Product Management and Marketing, Photothermal Spectroscopy Corp. Dr. Andrew Ault Dow Corning Assistant Professor of Chemistry and Associate Professor of Chemistry, University of Michigan Melissa O'Meara Forensic Science Consultant, C&EN Media Group
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Synthetic oligonucleotides have become the fast-growing therapeutic modality in recent years and are being increasingly developed for treating a wide range of disease conditions. Along with the development of these therapeutic candidates comes the increased need for reliable analytical methods and easy-to-use data analysis workflows to fully characterize them to ensure the intended efficacy. Thus, reliable and sensitive analytical and preparative methods are required to adequately resolve impurities and establish purity and identity of the intended oligonucleotide product.   In this presentation, we will present the relevant chromatography, mass spectrometry and spectroscopy based analytical strategies to confidently detect, quantify and purify oligonucleotides and their related impurities that can help you meet both the challenges of synthetic oligonucleotide quality assessment, and the productivity needs of your lab.   Key Learning Objectives: Learn about the manufacturing challenges associated with synthetic oligo drugs Learn about the critical quality attributes for complete assessment of synthetic oligonucleotides Learn about the analytical approaches for the confident identification, quantification and purification of synthetic oligonucleotides and the related impurities Who Should Attend: Laboratory managers Chromatographers New product developers Brought to you by: Speakers: Parul Angrish, Ph.D. Director, Biopharma/Pharma Market Melissa O'Meara Forensic Science Consultant, C&EN Media Group
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The AssayMAP Bravo is a flexible yet easy-to-use automated micro chromatography-based protein sample preparation platform that leverages packed resin bed cartridges, precision flow control, and preoptimized applications to perform a wide variety of sample preparation workflows required during biotherapeutic development.  We have made several advances that allow the AssayMAP Bravo to address even more of the drug development process.  The system can now use large capacity cartridges, work in 21 CFR part 11 compliant labs, and automatically generate reports detailing the sample preparation steps executed.  These new capabilities enable walkup operation, simplified documentation, and seamless method transfer between labs so projects can be moved forward as quickly as possible.   Key Learning Objectives: Discover how the AssayMAP Bravo makes automated sample preparation accessible to non-automation experts to reduce variability, human error, and manual labor. Learn how new 21CFR part 11 enabling features in the new AssayMAP software enable walkup operation and simplify transfer of assays along the entire biotherapeutic development process, including moving from non-compliant to compliant labs. Find out how documentation has been simplified and enhanced with the new automated report generation feature. See the workflows that are enabled on the AssayMAP platform with new large capacity AssayMAP cartridges. Who Should Attend: Scientists doing biotherapeutic drug development from discovery to pre-clinical work. People involved in quality control and assurance.   People looking to increase reproducibility and throughput.  Scientists doing proteomics and phosphoproteomics research.  Brought to you by:         Speakers: Steve Murphy, Ph.D. Workflows and Applications Manager, Agilent Technologies Catherine Dold Health & Environment Writer, C&EN Media Group
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Tuesday, March 14, 2023
X-ray diffraction (XRD) is a well-established, non-destructive method to characterize the crystal structure and phase composition of powder or bulk materials. Despite being a standard analytical method, there are still many challenges faced in XRD measurements. For example, detecting weak diffraction peaks arising from minor or impurity phases can be difficult as they are often lost in the measurement background. Alternatively, overlapping peaks, as often seen in multi-component samples, can make correct identification of the present phases difficult.     With the recent introduction of XRDynamic 500, an automated multipurpose powder X-ray diffractometer, and the new instrumentation developments that it has brought, improvements to the data quality and instrument usability have been made that mean that these common challenges can now finally be addressed.    Anton Paar is proud to present “4 Key Developments Advancing Powder XRD,” a live webinar discussing the common challenges faced in XRD measurements and how a new generation of instrumentation seeks to address them. Real-world application examples will be presented on various sample types to showcase the benefits of a modern instrument.      Key Learning Objectives: New developments in powder XRD instrumentation that can improve data quality and ease of use  Real-world applications that showcase the added benefits when using state-of-the-art XRD instrumentation  Who Should Attend: Research Scientists  Laboratory Managers  University Researchers  Quality Engineers   Brought to you by: Speakers: Andrew Jones XRD Product Manager, Anton Paar Melissa O'Meara Forensic Science Consultant, C&EN Media Group
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Recent news about heavy metals detected in baby food has many parents worried and with many questions. Regulators provide validated methods that food labs can use to analyze heavy metals in food.  Join Agilent and CEM for an educational seminar on the preparation and elemental analysis of baby foods by inductively coupled plasma–mass spectrometry (ICP-MS) using FDA Method EAM 4.7.     Data from a market basket study on store bought baby foods will be presented. CEM will provide tips and techniques to prepare a wide range of baby foods in a single batch including acid selection, vessels, and programs. Agilent will demonstrate elemental analysis by ICP-MS and highlight new software features.   Key Learning Objectives: Review FDA method EAM 4.7 for sample preparation and elemental analysis by ICP-MS Learn how to perform microwave digestion of 40 baby food and food standard reference material (SRM) samples and blanks in a single batch Learn how to best run your ICP-MS for food analysis, and how to have confidence in your data with new software features Who Should Attend: Metals analysis lab managers, chemists, and technicians involved in trace metals testing of foods  Lab managers and lab technicians looking to optimize heavy metals analysis of foods Lab directors and commercial lab managers looking to increase throughput of food sample testing Brought to you by:   Speakers: Jenny Nelson Applications Scientist, Agilent Technologies Elaine Hasty Senior Applications Chemist, CEM Corporation Catherine Dold Health & Environment Writer, C&EN Media Group
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Computational chemistry offers a fast and innovative approach to drug discovery and is especially powerful when used in combination with biological testing to provide a complete and reliable picture of a target system. Implementing these techniques to the concept of drug repurposing - taking existing drugs already clinically approved for their use in other disease areas and identifying those which show anti-cancer activity – offers a fast-tracked approach to cancer research, easing the strain on time and resources.    Here, we demonstrate the power of this integrated approach through the collaboration between Cresset Discovery and the Drug Discovery and Development Group, University of South Australia. Virtual screening enabled a targeted, high-throughput evaluation of existing compounds, before the most promising molecules were progressed to further cellular studies to identify the anti-viral drug rilpivirine as displaying anti-proliferative actions in cancer cell lines.    Key Learning Objectives: Drug repurposing offers a fast-track approach to drug discovery as considerable information already exists on a drug’s pharmacology and possible toxicity.  Drug repurposing has been greatly facilitated by the emergence of virtual screening, which enables high-throughput evaluation of existing compounds.  Combining computational methods with cell-based studies increases the chance of success by giving a complete picture of target protein-ligand systems.  Who Should Attend: Research chemists and managers working in pharmaceutical and biotechnology, particularly:  Medicinal Chemists Computational Chemists Molecular Modelers Research Managers Heads of Research/Chemistry/R&D/Innovation Drug Discovery Project Manager Bench Scientists Brought to you by:   Speakers: Dr. Martin Slater Director, Discovery Cresset Discovery Richard Head Emeritus Professor in the Division of Clinical and Health Sciences, University of South Australia Catherine Dold Health & Environment Writer, C&EN Media Group
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Asymmetric catalysis has become an integral part of the science-driven technological revolution in the second half of the 21st century, leading to decreased energy demands, sustainable chemical processes and the realization of “impossible” transformations. Asymmetric catalysis based on chiral transition-metal complexes plays an important role in the synthesis of single-enantiomer drugs, perfumes and agrochemicals. The importance of the field is recognized by two Nobel Prize Awards in 2001 (transition-metal catalysis) and 2021 (organocatalysis).    Asymmetric catalysts are traditionally designed by experimental trial-and-error methods, which are resource-, time- and labor-consuming, and thus extremely expensive. Digital methods offer the opportunity to expedite catalyst design. Until recently, computational chemistry, typically quantum chemical studies, indirectly contributed to asymmetric catalyst design by providing rationalization for the mechanism of generation of chirality. With the development of more advanced methods, algorithms and an included layer of automation, computational catalysis is now providing the possibility for direct asymmetric catalyst design.    In this webinar, we will demonstrate how Schrödinger’s advanced digital chemistry platform can be used to accelerate the direct design and discovery of asymmetric catalysts.     Key Learning Objectives: Learn how to design an asymmetric catalyst with computational chemistry Learn how automated high-throughput simulation workflows enable rapid asymmetric catalyst design Understand the intersection of physics-based and machine learning techniques in asymmetric catalyst design Who Should Attend: Synthetic Chemists Materials Scientists Chemical Engineers Digitization Managers R&D Scientists Designing Novel Catalysts Brought to you by: Speakers: Pavel A. Dub Senior Principal Scientist and Product Manager, Schrödinger Melissa O'Meara Forensic Science Consultant, C&EN Media Group
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Recurring helium shortages and increased prices boost the demand for performing GC/MS analysis with alternative carrier gasses. While helium is the best carrier gas for GC/MS, hydrogen is the second-best alternative. However, unlike helium, hydrogen is not an inert gas. Hence, it can cause peak tailing, distorted ion ratios in the mass spectrum, poor library matching, and sensitivity loss.    Pesticides analysis can be challenging even with helium carrier gas given their diverse and labile nature. This presentation discusses the key strategies for analyzing pesticides with hydrogen carrier gas while delivering high-quality uncompromised results. To achieve the required detection limits with hydrogen carrier gas, the injection conditions were optimized. Further, the EI source optimized for use with hydrogen carrier gas allowed for preventing undesirable in-source reactions. Finally, method translation, and retention time locking techniques allowed the use of the MRM transitions and retention times from the database created with helium carrier gas.    Key Learning Objectives: Optimization of GC conditions essential when using hydrogen carrier gas  Appropriate MS hardware selection, including the EI source optimized for use with hydrogen carrier gas  Method translation technique for maintaining the same retention times as the original method with helium carrier gas or to scale the analysis speed with accurate retention time prediction  Who Should Attend: Laboratory Managers  Chromatographers  New Product Developers  Brought to you by:   Speakers: Anastasia Andrianova GC/MS Applications Scientist, Agilent Technologies Melissa O'Meara Forensic Science Consultant, C&EN Media Group
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The solubility of orally administered drugs is highly influenced by the composition of the intestinal fluids, the presence of fatty acids and cholesterol, and the pH. All these factors can be affected by the individual’s diet (food effect). Typical biorelevant studies, however, fail to capture food effects as the experiments are commonly performed on fixed simulated intestinal fluid (SIF) compositions. Consequently, accurate prediction of the food effect observed in clinical studies is hindered due to lack of reliable data for the model.    Here, we propose a high-throughput automated workflow for the study of API solubility in complex, ad hoc biorelevant media, and the implementation of the data obtained in vitro into a Physiologically Based Biopharmaceutic Model (PBBM) used to predict the food effect on a BCS IV zwitterionic drug. The automated workflow led to considerable time and material savings, while the model accurately predicted the results of the food effect.    Key Learning Objectives: Determination of food effect, through use of complex biorelevant media, to describe and predict clinical data Automated preparation of ad hoc complex biorelevant media  Automated in vitro biorelevant solubility screen of an API Integration of in vitro solubility and permeability into a Physiologically Based Biopharmaceutic Model (PBBM)  Who Should Attend: Scientist, Sr. Scientist, Development Chemist, Formulation Chemist, Process Chemist, (Directors of preceding), Research Fellow, Professor Product Development Scientists, Biochemist  Brought to you by:   Speakers: Paola Ferrini Investigator, High-Throughput Automation Team, GSK Konstantinos Stamatopoulos Biopharmaceutics Investigator, GSK Catherine Dold Health & Environment Writer, C&EN Media Group
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In recent years, there has been a growing movement to promote alternative methods to animal testing and the EU and a few other countries have even moved to ban the import and sale of cosmetics that have been tested on animals. The Amino acid Derivative Reactivity Assay (ADRA) Method developed by Fujifilm, is an innovative alternative test method for skin sensitization without the use of animals and it was adopted by the OECD in 2022 as a reliable test method.    In this webinar, we will present the technical background of the ADRA method, the use of reagent kits to perform ADRA testing, and our solutions for ADRA analysis that deliver both enhanced selectivity and high-speed testing. Register for this webinar and learn more about how the ADRA method will help you better test the safety of cosmetics and pharmaceuticals.    Key Learning Objectives: Outline of the OECD TG442C (ADRA: Amino acid Derivative Reactivity Assay)   Overview of ADRA kits and related products  How to conduct ADRA testing using HPLC  Who Should Attend: R&D and Manufacturer of Cosmetics  Companies considering Alternative Methods to Animal Testing  Industries interested in Alternative Methods to Animal Testing  Brought to you by:   Speakers: Toshihiko Kasahara, Ph.D. Safety Eval. Center, ESG Div., Senior Expert, Fujifilm Corporation Suguru Kitagawa International Sales, EU Region, Fujifilm Wako Pure Chemical Corporation Ayako Nomura Analytical Instr. Div., Application Specialist, Shimadzu Corporation Melissa O'Meara Forensic Science Consultant, C&EN Media Group
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