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2024

20 anniversary Mestrelab

20 reasons to trust Mestrelab

For two decades, we’ve been dedicated to supporting the scientific community with innovative, reliable tools. Here are 20 reasons to trust Mestrelab.

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Changelog Mnova 15_1 release

What’s new in Mnova 15.1

We are excited to announce the release of Mnova 15.1, bringing you advanced new features, performance improvements, new product versions, and the usual round of bug fixes to boost your research and enhance your user experience. 

Discover the latest in Mnova – the comprehensive software suite for combined NMR, LC/GC-MS and Electronic & Vibrational Spectroscopic techniques.  

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Top features in Mnova 15.1

Mnova 15.1 is here! We’re excited to introduce a range of powerful features designed to enhance your analytical experience.

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Building a Purification Factory: Embedding Mestrelab Tools into a Rich IT Infrastructure

Building a Purification Factory: Embedding Mestrelab Tools into a Rich IT Infrastructure

Join us for an insightful webinar where we’ll demonstrate how to integrate Mestrelab’s tools into a complex IT ecosystem to automate lab workflows. Using a real-world example, we’ll show you how to build a purification factory that seamlessly connects in-house and commercial software systems.

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Development of a Simple Cost Effective Oxygenation System for In Vivo Solution State NMR in 10 mm NMR Tubes

In vivo NMR is evolving into an important tool to understand biological processes and environmental responses. Current approaches use flow systems to sustain the organisms with oxygenated water and food (e.g., algae) inside the NMR.

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SciY Mestrelab Mnova & ZONTAL Join Forces for Next-Level Data Integration | Webinar

ZONTAL and Mestrelab by SciY are leaders in their respective areas of data digitalisation and complex analytical data processing. In this talk we explore how the two products can be seamlessly integrated to add convenience and value.

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scoring-chiral-compounds-with-Chrom-Best-Method

Scoring of LC separation procedures for a chiral compound using Mgears Chrom Best Method

In this application note, Prof. Rafael Cela and Dr. Leticia Pérez-Mayán outline the use of Chrom Best Method for evaluating LC separation of diniconazol, showcasing its effectiveness in meeting the analytical demands for a successful chiral separation.

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CIM - Centro Investigacion Mestrelab

Mestrelab is opening its research center in Santiago at the end of September

Mestrelab impulsa un centro de investigación en Santiago para aplicar la Inteligencia Artificial en biotecnología: “Es la nueva revolución”

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Press Release: Mestrelab Research, a leading chemical and life sciences software company, expanding its presence in China with ADG as its local operating partner.

Press Release: Mestrelab Research, a leading chemical and life sciences software company, expanding its presence in China with ADG as its local operating partner.

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Cómo acabar con los ensayos en animales: la empresa gallega que usa IA para crear fármacos

Mestrelab impulsa un centro de investigación en Santiago para aplicar la Inteligencia Artificial en biotecnología: “Es la nueva revolución”

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Radio Capitol -Mestrelab Research, tecnología para la salud

Mestrelab Research, tecnología para la salud

Capital Radio (Spanish language) – Mestrelab Research, tecnología para la salud Hablamos con Santiago Domínguez, CEO de Mestrelab Research, que desde Londres nos cuenta cómo están […]
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Accelerating HTE workflows at AstraZeneca | Webinar

Join us for an engaging webinar on high throughput analytical data management featuring Holly Douglas, Senior Research Scientist from AstraZeneca. Discover how integrating the Reaction Optimization software solution is revolutionizing drug discovery by streamlining workflows and enhancing data quality.

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Scoring Application Note

Scoring of LC separation procedures for ezetimibe and its degradants

In this application note, Prof. Rafael Cela, showcases the selection of LC procedures using Mgears Chrom Best Method and highlights how automation streamlines the screening process and helps in analysis, reporting and decision…

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MestreCast Episode 2 – Automation Stories

Explore the world of practical automation in our second MestreCast episode, “Automation Stories” This time, our host Santi Dominguez engages with Dr. Gary Sharman, Senior Scientific Director at Mestrelab Research
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IVAN NMR Webinar- Recorded Session

Watch the recorded session of our colleagues, Mark Dixon and Marcel Lachenmann from Mestrelab Research, speaking at the last IVAN Research Round-table Workshop held in February 2024!
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MestreCast Episode 1- The Rise of the Robots

Listen to the first episode of our MestreCast hosted by Santi Dominguez, CEO at Mestrelab Research, and featuring guest Dr. Niccy Tonge, Strategic Account Director (Mestrelab Research)
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PR-Mestrelab-USP

Press Release: The U.S. Pharmacopeia (USP) and Mestrelab Research, S.L. (Mestrelab)

The U.S. Pharmacopeia (USP) and Mestrelab Research, S.L. (Mestrelab), are pleased to announce they have entered into a collaboration to deliver USP-ID, through Mestrelab’s Mnova platform.

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Webinar | Automation in a purification lab at AstraZeneca

Automating the processing of analytical data for multiple drug discovery applications.

Join us for an insightful session where scientists and IT professionals from AstraZeneca come together to explore the complexities of managing analytical data within a purification lab setting.

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Mnova Purification Suite

Introducing the Mnova Purification Suite: your solution for streamlined chromatography purifications!

We are excited to introduce our Mnova Purification Suite, meticulously crafted to offer flexible, modular solutions that address the critical aspects of chromatographic purification. Our suite comprises three modules, each tailored to cater to distinct purification needs:

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Expert-Insights-Purification-laboratory

Managing data workflows in a purification laboratory

In this insightful exchange, we are privileged to have John, a distinguished expert with over 40 years of experience in the scientific and informatics domains, particularly within the pharmaceutical industry.

John’s extensive background in analytical chemistry, ranging from NMR and chromatography to chemical structure representation…

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ElPulpo: a qNMR friendly resolution enhancement algorithm

Spectroscopic techniques, particularly NMR, frequently encounter the challenge of overlapping peaks. Thus, the need to enhance the resolution of such spectra has been the subject of extensive research for decades

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Mnova Hub intro

Introducing Mnova Hub: Your streamlined solution for data access and exploration within Mnova

In the world of spectral data, the struggle to access and manage diverse datasets across various platforms is real. That’s why we’ve developed Mnova Hub, a unified data browser designed to connect Mnova seamlessly to various data providers. Mnova Hub empowers you to retrieve, modify, and store data effortlessly from within Mnova, without the need to download and/or open each dataset individually.

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Play FID

Play FID is a new tool included within the latest version of Mnova 15.0.1. The purpose of Play FID is to provide an auditory representation of NMR data, enhancing the interpretation and understanding of NMR spectra.

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What’s new in Mnova 15.0.1

We are excited to introduce Mnova 15.0.1, a minor release that brings not only bug fixes but also introduces new features and products. This update includes the development and implementation of innovative tools such as ElPulpo, a new NMR resolution enhancement algorithm, and Play FID, which enables users to audibly experience NMR data.

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Molecular Melodies: Unraveling the Hidden Harmonies of NMR Spectroscopy

This work explores the evolution of auditory analysis in NMR spectroscopy, tracing its journey from a supplementary tool to visual methods such as oscilloscopes, to a technique sidelined due to technological advancements

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2023

A Symphony of NMR Data: Enhancing Structural Elucidation

Liquid-state NMR plays a pivotal role in resolving the structural mysteries of molecular compounds across diverse fields such as synthetic organic and inorganic chemistry, as well as medicinal chemistry.

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Optimizing Fragment-Based Drug Discovery by NMR: A Deep Dive into Mnova Screening Software Solutions

Fragment-Based Drug Discovery (FBDD) and validation of small molecules binders using NMR has emerged as a powerful method in early-stage drug development. This post explores the general use of analytical techniques and innovative screening software solutions that optimize the process, enabling researchers to identify promising drug candidates with precision.

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Webinar recorded session CASE benchtop NMr - University of Toronto

CASE: (Computer-Assisted Structure Elucidation) Studies for Benchtop NMR system | Webinar

Join us for a webinar on “CASE (Computer-Assisted Structure Elucidation) Studies for Benchtop NMR system” presented by Dr. Ronald Soong, Senior Research Associate at the Environmental NMR Center, University of Toronto Scarborough. Explore the increasing popularity of benchtop NMR systems in undergraduate laboratories and gain insights into the selection of the most suitable system for educational objectives.

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Top features in Mnova 15

Mnova 15 is a game-changing release, introducing new products, versions, and commercial adjustments. Enhancements across plugins like NMR, MSChrom, Chemometrics, and DB deliver an upgraded user experience.

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Webinar - Pharmaceutical Molecule Characterization and Structure Analysis

Webinar | Pharmaceutical Molecule Characterization and Structure Analysis

Dr. María Victoria Silva Elipe, Process Development Scientific Associate Director, will be leading an insightful conversation on Practical Measurements Strategy of Anisotropic RDC Data for Stereochemical Characterization of Molecules. Followed by Dr. Ikenna Ndukwe discussing Mnova CASE-3D Methodology and DFT Combine for Unambiguous Structure Analysis of AMGEN APIs. We will have Professor Armando Navarro-Vázquez, who will speak about StereoFitter. Practical multiparametric NMR stereochemical analysis and will provide some recommendations and novelties.

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What’s new with Chrom Reaction Optimization 1.1

We are excited to announce that Chrom Reaction Optimization is close to release, and we couldn’t be more eager to share a sneak peek with you!

The invaluable feedback from our early customers has played a pivotal role in shaping this product into something truly exceptional…

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Webinar-recording-FBDD

Fragment-Based Drug Discovery (FBDD) Application | Webinar

Dr. Andrew “Dru” Namanja, Principal Research Scientist at AbbVie, will explore the potency ranking methods involving both qualitative single-point ligand concentration (Q Score) and quantitative binding affinity (KD), and how the combined utility can be used successfully to drive a Fragment-Based Drug Discovery (FBDD) campaign

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Chrom-Best-Method-AppNote

Evaluating Chromatographic Methods: Scoring Criteria and Considerations

The screening and selection of the best chromatographic methods play a pivotal role in the synthetic chemistry pipeline as it allows the obtention of high-purity materials for downstream uses. In this application note, we delve into the essential factors and consideration involved in evaluating chromatographic methods through a scoring approach.

 

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Reaction optimization AppNote

Reactions, reactions, reactions – data automation to the rescue

Reaction optimization is crucial for achieving efficient syntheses of final products or intermediates. While different approaches can reduce the number of trial reactions, effectively handling and analyzing LCMS data to quantify components remains a significant challenge…

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What’s new in Mbook 3.1.1

We've released Mbook 3.1.1, which brings a set of improvements. We have fine-tuned the user experience by addressing typical issues and adding a few enhancements. So, get ready to enjoy a smoother and more refined software experience with this latest update.
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What’s new in Mnova 14.3.3

We’re introducing Mnova 14.3.3, a recent release that brings a touch of freshness to the table. Just a couple of months after our previous version, this […]
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Advances in Processing and Analysis of Hyphenated MS Experiments | Webinar

Gavin Shear (Mestrelab) describes expert tools to the desktop user, with game changing enhancements in peak picking, spectral display, and spectral substraction using Mnova MSChrom.

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No Automation is an Island – Integrating Mgears into your IT infrastructure

No automation exists in a vacuum. Inputs and outputs to the process (or rather the ease with which these connections can be achieved) can make or break the overall automation. There is no point having a wonderful automation processing 10,000 samples if all the results then need to be transcribed manually into a corporate database!

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Leveraging the power of automated analysis: let your ideas flow

Experts working with chemistry – from small molecules right up to macromolecules and from pure compounds through to complex mixtures – know that the analytical data acquired by the instruments is empty and meaningless without analysis and interpretation.

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Automation for everyone

Agreeing in principle that there are benefits to data automation is one thing, yet in practice, changing standard processes to implement such automations can be a much more complicated decision to make, especially when lacking the internal expertise to take care of such changes.

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Webinar-what-can-Mnova-do-for-your-mixtures-analysis

Mixture Analysis in Mnova NMR | Webinar

Dr. Mark Dixon (Mestrelab) gave a webinar on how identification and/or quantification of components of a mixture in solution is a common problem that a chemist must solve on a frequent basis.

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NMR supported file formats

Mnova NMR can handle datasets from the most important NMR vendors. You can see the whole list here. If you have any doubts regarding your datasets and format compatibility with Mnova NMR just contact us.

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The lab of the future is already here … It’s time to ACT

The demand for, and adoption of lab automated systems has been constantly increasing over the past few years, the market for which is anticipated to grow by 7.6%, up to $9.21 billion, by 2029.

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2022

Efficiently driving protein-based fragment screening and lead discovery using two-dimensional NMR

Fragment-based drug discovery (FBDD) and validation of small molecule binders using NMR spectroscopy is an established and widely used method in the early stages of drug discovery. Starting from a library of small compounds, ligand- or protein-observed NMR methods are employed to detect binders, typically weak, that become the starting points for structure-activity relationships (SAR) by NMR.

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Mestrelab Research obtains the ISO 9001:2015 certification

This internationally recognized quality certification will allow Mestrelab to strengthen its industry leading position.
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MSChrom-Supported-formats

MSChrom supported formats

This is the list of provider data sorted per OS supported by Mnova MSChrom. Note that Mnova 15 does not support Windows x32 formats.

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Identification and quantification

Identification and Quantification of compounds with NMR

Mnova offers multiple ways to address the analyses of mixtures when presented in NMR spectra, whether they are targeted or untargeted, and whether they require component identification and/or quantification. The most suitable technique depends upon the application.

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Mnova solutions for your LC/GC-MS analyses

Mnova LC/GC-MS software solutions for your analysis. A popular desktop application, a powerful automation engine, a task-specialized analysis

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A CASE (Computer-Assisted Structure Elucidation) for Bench-Top NMR Systems in the Undergraduate Laboratory for De Novo Structure Determination: How Well Can We Do?

The recent popularity of benchtop (BT) NMR systems has prompted its applications in undergraduate laboratories around the world. Owing to their low maintenance cost, due to the lack of a superconducting magnetic core, and simple operation, these BT NMR systems can fulfill many of the learning objectives outlined in the undergraduate organic chemistry curricula.

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What’s new in Mbook 3.1

  Mbook 3.1 – Release Mbook 3.1 has been released, bringing a small set of improvements and bug fixes so you can better enjoy your ELN […]
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Three features from Mgears that you absolutely need for your high throughput analyses!

High-throughput (HT) analyses have become extremely popular, if not essential, for daily activities in the majority of analytical laboratories, ranging in use from R&D, to manufacturing, to quality control.

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Mestrelab releases automation tools for LC/GC-MS workflows

Mestrelab Research SL, innovators in analysis and management of complex analytical data, is announcing the release of a new set of automated solutions for chromatographically coupled MS (LC-MS and GC-MS) data workflows.

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Top highlights in Mnova 14.3

Mnova 14.3 has just been launched and includes new products, some plugins updates, a number of new features for many of our products...
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The Rise of the Robots

Robotics automation is rapidly changing our world; ‘bots are everywhere. Today, we find them in so many places, from providing customer support on insurance websites through to industrial robotics involved in car manufacture and food production.

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Chromatogram Alignment with Mgears

Chromatogram Alignment with Mgears

When analyzing LC/GC-MS data, it may be necessary to align your chromatogram with the analytical trace so that the peaks match across the different spectra…

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Automated qNMR data processing and analysis in the behind the scenes of fragment-based drug discovery

“Back in 2017, only one project is using qNMR for solubility; since we implemented Mnova automated qNMR in 2018, all our projects are now using the method.”  Maggie Liu – Expert NMR Spectroscopist in the structural chemistry team – Institute of Cancer Research (ICR).

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2021

What’s new in SMA 3.0

SMA 3.0 is out with a new set of features to make mixture analysis easier and more adaptable to your needs. Various improvements have been made […]
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Webinar – Digitalize your chemistry lab with Mbook 3.0!

The webinar will cover the complete workflow required to create digital laboratory notes in Mbook 3.0. The outline is a high-level introduction, followed by a demonstration of typical daily workflow, and a Q&A session.

The new features of Mbook 3.0 will be covered together with the chemist’s daily workflow, as they are inseparable from the chemist’s work.

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NovAliX adopts Mestrelab’s Mnova software

Santiago de Compostela, Aug 2, 2021. The adoption of Mnova software comes on the heels of a major expansion of chemistry at NovAliX with the acquisition […]
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QC Profiling Webinar-Novartis

Webinar on Mnova QC Profiling (batch mode)

In this webinar you will get some insights on how Mgears and the QC profiling plugin can facilitate the interpretation of up to thousands of LC-MS per week and the subsequent loading of the retrieved information into databases.

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2020

Mnova MyGears – App Note

MyGears in action – Automated qNMR, Structure Verification and Spectrum Suitability Testing with ONE Click.

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Mnova DB MyData – Application Note

Turning your spectroscopic data into a searchable resource.
Using MyData to efficiently retrieve what you are looking for in a few mouse clicks

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Mnova DB MyData – Workshop

Store, share and search your chemical and analytical data

This is the recorded session of the workshop Mestrelab given by Mestrelab CEO, Santi Dominguez in April 2020.

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IntroWebinar - Introducing Mnova StereoFitter, an integrated workflow for conformational and configurational analysis of small molecules in solution

Webinar – Solve 3D structural challenges with Mnova StereoFitter

This webinar will demonstrate a new capability for chemists to elucidate 3D structure of their molecules for themselves, using a comprehensive set of tools integrated together as a plugin for Mnova NMR.  Using readily available NMR constraints it will be shown how simple it is to extract a best-fit from a set of conformers or stereoisomers in a very short amount of time.

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Mestrelab peer reviewed papers

A KNIME Workflow for Automated Structure Verification

Adequate characterization of chemical entities made for biological screening in the drug discovery context is critical. Incorrectly characterized structures lead to mistakes in the interpretation of structure–activity relationships and confuse an already multidimensional optimization problem.

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Mestrelab peer reviewed papers

NMR signal processing, prediction and structure verification with Machine Learning techniques

Machine learning (ML) methods have been present in the field of NMR since decades, but it has experienced a tremendous growth in the last few years, especially thanks to the emergence of deep learning (DL) techniques taking advantage of the increased amounts of data and available computer power.

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2019

Webinar - The whole nine yards of Biologics QA using NMR (1)

Mnova BioHOS Webinar – The whole nine yards of Biologics QA using NMR

We had a very exciting webinar about a hot topic in the NMR field, Higher Order Structure (HOS) analysis of biotherapeutic proteins. Dr. Donna Baldisseri (Bruker) described recently developed and optimized acquisition techniques. Dr. Mike Bernstein (Mestrelab) showed how data can be easily processed and analysed with the recently launched Mnova BioHOS plugin

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Mestrelab party at SMASH 2019 – Hard Rock Cafe (Porto)

We want to share with you some of the pictures taken at the Mestrelab party in the Hard Rock Cafe in Porto – SMASH NMR 2019
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New products and top features in Mnova 14.1

Mnova 14.1 includes the option of purchasing two new plugins: Mnova Gears and Mnova BioHOS,  but is also packed with new features, improved algorithms and plenty […]
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BioHOS Application Note

Mnova BioHOS – Application note

Therapeutic pharmaceuticals (drugs) have witnessed a sea change in recent years. The large, dominant group of drugs derived from synthetic, small molecules has been joined by a new type of drug that has been very effective with diseases that were previously untreatable.

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Top features in Mnova 14.0.1

Mnova 14.0.1 is a minor release where we have fixed several bugs and also implemented new functionality mainly in NMR, MS and NMRPredict. Some of these […]
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Mestrelab peer reviewed papers

Workflows Allowing Creation of Journal Article Supporting Information and Findable, Accessible, Interoperable, and Reusable (FAIR)-Enabled Publication of Spectroscopic Data

There is an increasing focus on the part of academic institutions, funding agencies, and publishers, if not researchers themselves, on preservation and sharing of research data. Motivations for sharing include research integrity, replicability, and reuse.

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Top 14 features in Mnova 14

Mnova 14 is a major release that incorporates many new features in most plugins: NMR, MS, NMRPredict, Screen, DB, Structure Elucidation, etc. We have integrated a […]
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ensemble-NMRprediction

Ensemble NMR Prediction

Introduction Since the very first release of Mnova, we have been (and still are!) very fortunate to include in the software the prediction of NMR spectra […]
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Faster, easier & cheaper methods to test regulated substances in textile and cosmetics

A consortium of European SMEs presented the results of an R&D project named QFashion, which would make textile and cosmetic products safer for consumers by providing […]
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2018

Bruker and Mestrelab Announce Strategic Collaboration and Partnership for Chemistry and Pharma Software Applications

Santiago de Compostela, Dec. 13, 2018 /PRNewswire/– Bruker Corporation (www.bruker.com) and Mestrelab Research S.L. today announced that they have entered into a strategic partnership to advance chemistry software […]
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2nd Edition "CHEMISTS FOR OUR Future" Awards – Registration

Registration for the second edition of the “Chemists for our future” awards is open! Mestrelab and AMSlab continue to support the enormous talent among students in […]
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User roles and permissions in Mbook

Mbook provides several levels of access through user roles, limiting access depending on the position occupied by the individual user (Admin, Project Manager, Group Manager, Bench Chemist and Guest). In addition to these roles, Mbook offers the possibility of further customisation of permissions by allowing Group Managers to designate Safety, Inventory or Structure managers.

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What’s new in Mbook 2.1?

Mbook 2.1 – NEW FEATURES We are delightful to tell you the latest features implemented in the latest version of Mestrelab’s ELN, Mbook. Stockroom  Reaction import […]
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IUPAC Name algorithm

Mnova IUPAC Name algorithm – Part III

Our current achievement is generating of Preferred IUPAC Names (PIN) for

  1. unbranched rings assemblies of 3 through 6 identical cyclic systems
  2. branched rings assemblies.
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IUPAC Name algorithm

Mnova IUPAC Name algorithm – Part II

Once again let’s speak about Mnova innovative approach that allows to generate correct IUPAC names for most of the possible modifications of suffix groups. Let’s look at the suffix group sulfonic acid.

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Mnova PhysChem – starting guide

In this short tutorial we would like to show you how to use the Mnova PhysChem plugin so that you can predict the physico-chemical properties of […]
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Mnova PhysChem – FAQ’s

 
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Mestrelab Research response to ACDLabs press release about lawsuit for copyright infringement

Mestrelab Research SL, a leading provider of chemistry software solutions commented today on the announcement by ACDLabs that it has filed a lawsuit against it for […]
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Mnova IUPAC Name algorithm – Part I

The IUPAC naming algorithm in Mestrelab Research SL’s Mnova IUPAC Name plugin represents an innovative step forward compared to other software products with similar functionality available in the marketplace.

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