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In industries with discovery departments and purification processes, preparative chromatography is key for obtaining high-purity materials. But screening sample sets and analyzing results manually can be time-consuming. In this<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/LC_separation_procedures_for_Ezetimibe_App_Note_fccfab2a32.pdf"> application note</a>, Prof. Rafael Cela, Senior Researcher at the Mestrelab Research Center (CIM), showcases the selection of LC procedures using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1079">Mgears Chrom Best Method </a>and highlights how automation streamlines the screening process and helps in analysis, reporting, and decision-making.Selected sections from the application note follows.Screening sample sets are common tasks in industries with discovery departments, and purification and scaling fabrication processes for high added value chemicals. In all these fields, preparative chromatography is often the preferred way to obtain material with sufficient purity. The efficient purification methodology involves screening a few chromatography methods using mass and/or UV detectors and testing different columns and/or mobile phase compositions.&nbsp;Frequently, these sample sets consider chiral compounds, and the objective is not only the separation of the target species such that it is as pure as possible, but also the separation of enantiomers and/or diasteroisomeric impurities. From this screen, critical decisions are taken (e.g., a synthetic route is preferred; a preparative method is chosen; alternative separation methods are tested; ...). Frequently, a busy discovery and/or purification lab receives many such requests and reviewing the results of screens manually is time-consuming and tedious. A tool which automates the task, gathering the required data, scoring the methods for suitability, and reporting the results, is therefore highly desirable.&nbsp;Mgears Chrom Best Method has been developed as a tool to hierarchically organize the results of screening experiments according to flexible, convenient, automated, and user-selectable scoring criteria. In this short note, we will consider, as a case study, the selection of LC procedures to isolate ezetimibe (C24 H21 F2NO3; CAS: 163222-33-1, MW: 409.433 g/mol) from several of its degradants.Degradation processes of ezetimibe have been extensively described in the literature1,2 . The sample mixture was prepared departing from an ezetimibe standard (Acesys Pharmatech, Cat No. 1242-111-21, Fairfield, NJ, USA). This standard was submitted to alkaline and acidic degradation processes, then mixed and spiked with the pure standard to provide a mixture where both the API and several of its degradants can be accurately detected. This mixture was diluted and used for all screening runs described, which were arranged according to a simple factorial experimental design (Table 1).&nbsp;The column was a Cortecs C8 3 x 50 mm, 2.7 um (Waters® PN.186008369). The instrumental system used was a Waters® Acquity HClass LC system furnished with an Acquity DAD-UV detector and a Xevo TQD detector and was operated via the Masslynx software. MSD scan mode signal in the 100-700 m/z range was registered in negative polarity. The DAD wavelength range was 220-400 nm. The mobile phase flowrate was 0.2 mL/min in all experiments. The pH of the mobile phases was varied between 3 and 8, developing elutions with acetonitrile as modifier, at column temperatures of between 35 and 55 ºC.<h4>Chrom Best Method Scoring Criteria</h4>Chrom Best Method provides a highly flexible scoring system that can be adapted to the needs of any chromatographic separation aimed at selecting the optimal purification method. Factors such as the target resolution, purity, symmetry, and retention time can be evaluated by means of desirability functions and combined into an overall measure, allowing the selection of the best separation among those provided in the experiment.Desirability functions for scoring criteria use logistic functions (Figure 1) that represent situations that range from highly undesirable (score = 0) to highly desirable (score = 1). These functions are defined by assigning a value for the 50% score point and a slope (k). Moreover, a weight coefficient can be assigned to reflect the relative importance of each scoring criterion to the user.&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_1_Desirability_functions_used_by_Chrom_Best_Method_79cf7ee3cc.jpg" alt="Mestrelab Research: Figure 1. Desirability functions used by Chrom Best Method" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_1_Desirability_functions_used_by_Chrom_Best_Method_79cf7ee3cc.jpg 245w," sizes="100vw" width="1179" height="382">Some of these functions are quite straightforward, such as those for peak purity, symmetry, and retention time. For example, the purity criterion is defined by fixing the purity level for P50 (e.g., 95%) and the slope. This allows for more or less demanding conditions for separation. For example, in Figure 2 we see how the purity criterion can be relaxed, changing the slope value even though the P50 condition remains the same. Similar behavior may be found in other unilateral desirability criteria (e.g., resolution and similarity), and even in the retention time criterion, although in this case the desirability function defined is a bilateral one.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_2_Controlling_the_target_peak_purity_criterion_bded6cbe39.jpg" alt="Mestrelab Research - Figure 2. Controlling the target peak purity criterion.jpg" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_2_Controlling_the_target_peak_purity_criterion_bded6cbe39.jpg 245w," sizes="100vw" width="1305" height="510">Resolution criterion is a bit more complex because, to allow maximal flexibility, critical values are defined for peaks eluting before and/or after the target peak. Moreover, the basic Rs criterion is combined with another term that considers the maximum percentage of impurity allowable. In this way, the criterion can be controlled and adapted to virtually any practical situation....

Scoring of LC separation procedures for ezetimibe and its degradants using Mgears Chrom Best Method

News from LabRulezLCMS Library - Week 14, 2025

<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/5170">Get ready for Mbook 4.0!</a> This release introduces a modern, redesigned interface with intuitive navigation and an advanced search filtering system, making ELN management more efficient and user-friendly than ever. With a refined role architecture, enhanced experiment setup, and upgraded inventory management, Mbook 4.0 is built to optimize your laboratory workflow.With Mbook 4.0, effortlessly track projects, manage inventory, generate reports, and collaborate seamlessly - all designed to enhance efficiency and optimize every stage of your workflow. Discover the latest features and improvements below and take your chemistry lab management to the next level.<h4>1. Modern Interface, Multi-Session, and Cross-Device Compatibility</h4>Mbook 4.0 presents a refreshed interface with an intuitive design that simplifies navigation and enhances usability. The improved system integrates advanced filters, enabling you to efficiently search for projects, experiments, groups, users, compounds, or bottles in just a few clicks.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_1a_Redesigned_Mbook_interface_3d3f9b7156.webp" alt="Mestrelab Research: Figure 1a. Redesigned Mbook interface" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_1a_Redesigned_Mbook_interface_3d3f9b7156.webp 245w," sizes="100vw" width="1920" height="1080">A major productivity boost comes with multi-session support, allowing users to open and manage multiple sessions simultaneously in separate browser tabs or windows. Effortlessly switch between projects without losing progress, compare data across different experiments, or explore your inventory while reviewing a reaction-all without losing progress.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_1b_Multitasking_with_multiple_Mbook_sessions_8e72fa13db.webp" alt="Mestrelab Research: Figure 1b. Multitasking with multiple Mbook sessions" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_1b_Multitasking_with_multiple_Mbook_sessions_8e72fa13db.webp 245w," sizes="100vw" width="1920" height="1080">Additionally, Mbook is now fully compatible with web browsers on tablets and phones, providing cross-device accessibility, ensuring you can access your ELN anytime, anywhere.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_1c_Mbook_accessible_across_different_devices_a5b4acfe7b.webp" alt="Mestrelab Research: Figure 1c. Mbook accessible across different devices." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_1c_Mbook_accessible_across_different_devices_a5b4acfe7b.webp 245w," sizes="100vw" width="1920" height="1080"><h4>2. Advanced Roles and Customizable Permissions</h4>Mbook 4.0 introduces an enhanced additive role and permissions system, enabling organizations to tailor user access according to specific needs. Assign different roles to users and customize specific permissions for each role or combination of roles, ensuring improved security, seamless collaboration, and optimized workflow efficiency.To further enhance security, new users are required to verify their email before gaining access, ensuring that only legitimate accounts are activated.The new “Inventory manager” role has been introduced to streamline stock management, making it ideal for users dedicated to handling inventory tasks. This role can also be assigned alongside other responsibilities, offering flexibility in lab operations and ensuring more efficient resource management.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_2_New_roles_and_permissions_workflow_including_the_Inventory_manager_role_a7bdbc47ae.webp" alt="Mestrelab Research: Figure 2. New roles and permissions workflow, including the Inventory manager role" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_2_New_roles_and_permissions_workflow_including_the_Inventory_manager_role_a7bdbc47ae.webp 245w," sizes="100vw" width="1920" height="1080"><h4>3. Inventory Improvements</h4>With the new filter capabilities, locating any compound in the Compound DB or in the Stockroom is faster and more efficient, streamlining your Inventory inquiries.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_3a_Advanced_filters_for_quick_compound_search_in_Mbook_Inventory_98a1763802.webp" alt="Mestrelab Research: Figure 3a. Advanced filters for quick compound search in Mbook Inventory" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_3a_Advanced_filters_for_quick_compound_search_in_Mbook_Inventory_98a1763802.webp 245w," sizes="100vw" width="1920" height="1080">Another key feature is the Bottles stock report, now available as a CSV file. This report provides a detailed overview of all bottle-related data in Mbook, allowing for more efficient inventory tracking and seamless in-situ stock verification.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_3b_New_Bottles_Export_report_in_CSV_format_5cea350130.webp" alt="Mestrelab Research: Figure 3b. New Bottles Export report in CSV format" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_3b_New_Bottles_Export_report_in_CSV_format_5cea350130.webp 245w," sizes="100vw" width="1920" height="1080"><h4>4. New Experiments capabilities</h4><h5>Improved reaction scheme</h5>Easily clone compounds with a single step, eliminating the need to redraw molecules and saving valuable time.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_4a_9edb852456.webp" alt="Mestrelab Research: Figure 4a. Clone compounds within a reaction scheme" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_4a_9edb852456.webp 245w," sizes="100vw" width="1920" height="1080"><h5>Enhanced text editor</h5>The experiment description section now includes:<ul><li>New formatting options: customizable text sizes, headers, background text colors.</li><li>The ability to insert images, links, formulas, tables, and quotes.</li><li>Image upload support directly from your PC, tablet, or phone for quick documentation.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_4b_Improved_text_editor_with_enhanced_features_d895ce7a10.webp" alt="Mestrelab Research: Figure 4b. Improved text editor with enhanced features" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_4b_Improved_text_editor_with_enhanced_features_d895ce7a10.webp 245w," sizes="100vw" width="1920" height="1080"><h4>5. Enhanced Printable Reports</h4>All reports in Mbook have been redesigned for a more professional look, ensuring they align with your organization’s branding and compliance needs.<ul><li>Customization Options: Display your organization’s logo or add compliance signing fields.</li><li>Improved Performance: A new report engine significantly reduces generation time, allowing for faster access to reports.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_5_Updated_Mbook_report_templates_6dfdb264e4.webp" alt="Mestrelab Research: Figure 5. Updated Mbook report templates" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_5_Updated_Mbook_report_templates_6dfdb264e4.webp 245w," sizes="100vw" width="1920" height="1080"><h4>6. Compound Exportation</h4>Mbook 4.0 now supports exporting compounds from the Compound Database as CSV or SDF files. Whether you need to export a single compound or a fully configurable list, this feature provides flexibility tailored to your workflow.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_6_Export_Compound_DB_as_CSV_or_SDF_files_88cde33463.webp" alt="Mestrelab Research: Figure 6. Export Compound DB as CSV or SDF files" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_6_Export_Compound_DB_as_CSV_or_SDF_files_88cde33463.webp 245w," sizes="100vw" width="1920" height="1080"><h4>7. Mnova Console Upgrade</h4>The Mnova console in Mbook 4.0 has been updated to version 15.1, bringing enhanced data processing, visualization, and reporting capabilities.<ul><li>Background Processing: The Mnova console now runs in the background, allowing you to continue working in Mbook while receiving a notification once processing is complete.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_7_Continue_working_in_Mbook_while_Mnova_15_1_processes_data_in_the_background_24c5a3aafd.webp" alt="Mestrelab Research: Figure 7. Continue working in Mbook while Mnova 15.1 processes data in the background" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_7_Continue_working_in_Mbook_while_Mnova_15_1_processes_data_in_the_background_24c5a3aafd.webp 245w," sizes="100vw" width="1920" height="1080">

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Mbook 4.0 What’s New – Top Features

News from LabRulezLCMS Library - Week 14, 2025

Scoring of LC separation procedures for ezetimibe and its degradants using Mgears Chrom Best Method

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