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Related Resources for ACD/NMR Workbook Suite

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Webinar I: What's in my NMR tube? An overview to the process of structure characterization
Jan 27, 2021
ACD/Labs
Webinar
The first session in this two-part webinar series will discuss matching spectral data against an open access database, verifying the match between the proposed structure and experimental NMR data, and verifying the structure with unbiased verification.
Register


Consistent Detection of Multiplets in 13C Spectra Using Structure Aware Algorithms
Oct 18, 2020
D. Argyropoulos, S. Golotvin, R. Pol, and V. Mikhailenko
Poster
In this work we present a generalized method for the reliable detection of multiplets in 13C spectra of compounds that also contain 19F and 31P. The method can be easily implemented in software and leads to more consistent detection of the multiplets.
Download


Virtual NMR Software Symposium
Sep 29, 2020
ACD/Labs
Webinar
This virtual software symposium featured presentations from NMR experts at AstraZeneca, Merck, and JEOL, where they discussed how ACD/Labs software is being implemented into their analytical workflows to help accelerate R&D.
Watch on Demand


New Fields and Exciting Applications for Benchtop NMR's
Aug 06, 2020
ACD/Labs
Article
Benchtop instruments have made NMR spectroscopy more accessible to chemists and have opened new opportunities for the chemical industry. As this technology continues to evolve, benchtop NMR users will experience streamlined industrial workflows and accelerated innovation in Research and Development.
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Best Practices for Mixture Analysis by NMR
Jun 16, 2020
ACD/Labs
Webinar
Join this 40-minute webinar to hear about the effective strategies for the analysis of complex 1D and 2D NMR spectra of mixtures using ACD/Labs NMR tools.
Watch on Demand


Two decades of NMR Software—Through the Eyes of a Chemist Turned NMR Spectroscopist
May 01, 2020
S. Bhal
Blog Article
Norman Aubry, a long time user of our NMR software, shares his experiences with ACD/Labs over the past 25+ years.
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Build Customized Databases and Easily Manage your NMR Data
Apr 29, 2020
ACD/Labs
Webinar
In this webinar you will learn how to use Spectrus DB to manage database information in a variety of configurations, compile experimental information, and browse the content databases.
Watch on Demand


Synchronized NMR Data Processing Using NMRSync
Mar 17, 2020
ACD/Labs
Movie
Speed up routine manual processing operations by synchronized peak-picking and assignments across all the NMR spectra within a project.
Play


Removing User Bias from Structure Verification
Dec 04, 2019
D. Argyropoulos, S. Golotvin, R. Pol, V. Mikhailenko & Y. Liaghati Mobarhan
AppNote
This application note highlights how Unbiased Structure Verification (UBV) in ACD/NMR Workbook combines advanced structure generators with the finest ranking systems to select the 'best structure' corresponding to an NMR dataset.
Download


Accelerating Impurity Identification and Characterization at Eli Lilly
Oct 19, 2019
S. Bradley, J. Stafford, C. Hadden (Eli Lilly)
Case Study
Scientists utilize analytical instrumentation, electronic laboratory notebooks, and specialized software from ACD/Labs for impurity resolution management.
Download


Can Bias be Totally Removed from Structure Verification?
Oct 04, 2019
Y. Mobarhan
Blog Article
Reliable structure verification of candidate molecules is at the very core of any successful chemical discovery or development program. NMR provides unprecedented levels of information for unraveling the actual structure of compounds, and is an essential tool for chemists to confirm that they made what they intended to make. Read on to learn about ACD/Labs' efforts in the area of structure verification.
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ACD/Labs Releases v2019 Software Updates to its Spectrus and Percepta Platform Applications
Sep 18, 2019
ACD/Labs
Press Release
Software enhancements offer a complete application for CMC decision support, improvements for analytical data processing and analysis, and a move to 64-bit architecture.
ACD/Labs Releases v2019 Software Updates to its Spectrus and Percepta Platform Applications


Multi Spectral Verification (MSV)
May 15, 2019
J. DiMartino, A. Moser, B. Pautler, and L. Zepeda
Quick Start Guide
This document outlines how to optimize the settings for Multi Spectral Verification (MSV) for NMR data.
Download


1D Mixture Search Function
May 15, 2019
B. Pautler and L. Zepeda
Quick Start Guide
This document outlines the most important workflow steps and features to getting started with ACD/NMR Workbook Suite for mixture component identification.
Download


NMR Macro Applications and Development to Streamline Workflows at INVISTA
May 02, 2019
C. Dozier (INVISTA) and A. Moser, G. Kennedy, and J. Litman (ACD/Labs)
AppNote
This application note discusses how INVISTA’s Nylon intermediates plant implemented ACD/NMR Workbook Suite and a new workflow that reduces processing and reporting on a single spectrum from 20 minutes to 20 seconds.
Download


A New Method for the Reliable Detection of 13C Multiplets of Fluorine Containing Compounds
Feb 18, 2019
D. Argyropoulos. S. Golotvin, R. Pol, V. Mikhailenko, and J. Litman
AppNote
Here we present an analysis method that reliably peak-picks and identifies multiplets in the 13C spectra of organic compounds. This technique is based on accurately predicting the 19F coupled 13C spectrum of the proposed compound.
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Using Predicted 13C NMR Spectra with Open Resources for Structure Dereplication
Jan 17, 2019
D. Argyropoulos, S. Golotvin, R. Pol, A. Moser, and J. Litman (ACD/Labs), and N. Ortlieb, S. Breinlinger, T. Chilczuk, and T.H.J. Niedermeyer (Martin-Luther-Univerisity Halle-Wittenberg)
AppNote
The ability to quickly and reliably separate and identify active components in natural product mixtures "using bio-assay and/or mass spectrometry guided fractionation" is critical for successful natural product-based drug discovery. Dereplication is the practice of screening active compounds early in the development process, to recognize and eliminate compounds that have been previously studied. This enables scientists to focus on testing truly 'unknown' compounds.
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Implementation of Software Automation and Data Management Tools to Improve Throughput and Quality of Chemical Inventory
Jun 14, 2018
P. Kennedy (Cayman Chemical)
Webinar
Cayman Chemical regularly employs structure confirmation via NMR in its QC workflow and, with a catalogue of over 10 000 products that require QC testing, automation of this workflow represents a critical means to improve productivity. View the presentation to learn how Cayman uses ACD/Labs NMR tools to perform automated structure verification to ensure analytical efficiency while maintaining product quality, and assure lot-to-lot consistency via screening of NMR structural databases.
Watch on Demand


The Friedrich Schiller University Jena Partners with ACD/Labs to Advance its Analytical Data Management Strategy
Jun 12, 2018
ACD/Labs
Press Release
ACD/Labs, an informatics company that develops and commercializes solutions in support of R&D, today announced that the Friedrich-Schiller-Universität Jena (FSUJ), a prominent German academic institution, selected ACD/Spectrus Processor, ACD/NMR Workbook Suite, and ACD/MS Workbook Suite to advance its analytical data management strategy in the Faculty of Chemistry and Earth Science.
The Friedrich Schiller University Jena Partners with ACD/Labs to Advance its Analytical Data Management Strategy - June 2018


Ensuring Effective Analytical Data Management
Jun 12, 2018
M. Binnington
AppNote
Learn how ACD/Spectrus addresses analytical data management challenges through a portfolio of interoperable products that link chemical and analytical data in a homogenous environment.
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Choosing the Right Tools for Mixture Analysis by 1D or 2D NMR
Apr 11, 2018
ACD/Labs
Webinar
Watch this 40 minute webinar to see how you can speed up your analysis of complex 1D and 2D NMR spectra of mixtures using ACD/Labs NMR analysis tools, including our industry-standard NMR prediction and processing software.
Watch on Demand


What's New in 2017: 2D Mixture Analysis, Biomolecules, Unbiased Verification and more
Mar 04, 2018
D. Argyropoulos (ACD/Labs)
Presentation
Download


Cut Processing Time and Get Quality Answers from Your NMR Data
Dec 13, 2017
A. Moser, D. Argyropoulos
Webinar
NMR spectroscopy is used to help verify the structure of molecules so that a project can either progress, or further investigation ensue. The faster the data can be processed and analyzed, the sooner the scientists get answers from their NMR experiments and work can progress.

This short webinar will show you the fastest peak picking and assignment workflow in the industry that not only helps you get answers from your data quickly, but also instills confidence in your interpretation.
Watch on Demand


Generating Unbiased Structural Alternatives for Automated Structure Verification
Sep 18, 2017
S. Golotvin, R. Pol, M. Elyashberg, D. Argyropoulos and K. Kassam
Poster
Download


Boehringer Ingelheim Selects ACD/Labs for International Deployment
Nov 30, 2016
ACD/Labs
Press Release
Implementing software on the ACD/Spectrus Platform simplifies the IT landscape and provides essential analytical data handling tools for leading pharmaceutical company.
Boehringer Ingelheim Selects ACD/Labs for International Deployment


Schwabe Pharmaceuticals Selects ACD/Labs for Analytical Data Handling and Knowledge Management
Oct 19, 2016
ACD/Labs
Press Release
Deployment of ACD/Spectrus software provides an efficient, common software environment for data processing and analysis, helping scientists leverage analytical knowledge.
Schwabe Pharmaceuticals Selects ACD/Labs for Analytical Data Handling and Knowledge Management


New in ACD/Labs NMR - How the Spectrus Platform is Helping Analysts to Accomplish Even More with Less Effort
Jun 22, 2016
G. Rheinwald (ACD/Labs)
Presentation
Download


Identification of Individual Components Present in a Sample Mixture by 1H NMR and ACD/NMR Workbook Suite
Jun 02, 2016
B. Pautler and J.M. Faulkner
AppNote
The improvements of the mixture search workflow has greatly enhanced the usability of ACD/NMR Workbook Suite for the identification of components in a mixture. Developed to facilitate the rapid identification of components from a mixture using 1D NMR Spectroscopy, its goal to ease the strain on the analyst was achieved. The workflow was designed for the general analyst and can be applied to many types of samples including formulated products, petroleum, food and beverage, and biological samples to name a few. Future extensions to this tool include the expansion to include 2D NMR spectroscopic techniques (such as COSY, HSQC) as well as automatic quantitation if internal standard information is included.
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NMR Mixture Analysis and How to Save Time in Structure Elucidation
May 24, 2016
S. Jahanbakht
Presentation
View Presentation


Improving Our Understanding of Contaminated Environments Using Nuclear Magnetic Resonance
Feb 15, 2016
J. Longstaffe (Univ. of Guelph)
Presentation
Discussing the use of NMR to characterize the organic contaminants present in whole groundwater, soil, and non-aqueous phase liquids taken from sites undergoing environmental assessment and remediation.
View Presentation