Welcome to ACD/Labs Chromatography Newsletter for May 2008. Inside you can find out more about a new product for automated chromatographic method development that combines instrument control with sophisticated data analysis tools, learn about the use of automated LC/MS analysis in the characterizing of new columns, get information about an upcoming Seminar to be held prior to ASMS, get links to presentations given at PITTCON 2008 and much more.

 
ACD/Column Selector
Search a knowledge base of commonly used reverse-phase HPLC columns in order to locate the ones that have the properties best suited to the separation at hand. Column Selector has 229 characterized columns in its database, the result of over 4800 systematic experiments.
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In this issue...
  • Introducing ACD/AutoChrom
  • Complex Samples, Overlapping Peaks, and Automated LC/MS Analysis
  • Kudos for ACD/pKa Predictor in a Recent Study
  • PITTCON, ASMS and HPLC Conferences

Introducing ACD/AutoChrom
Introducing a new product for assisted chromatographic method development (RRLC, UPLC, and HPLC).

ACD/AutoChrom
for Agilent ChemStation
and WatersŪ Empower 2 Software

Unlike previous automated method development systems, AutoChrom adapts to the chromatographer's workflow, for unparalleled usability—directing column, solvent, and buffer screening experiments, as well as method optimization experiments. Unique LC/MS and LC/UV (DAD, PDA) instrument control capabilities and state-of-the-art peak matching algorithms make it easier than ever for chromatographers to take advantage of rational, computer assisted method development.

Learn More

Overlapping Peaks? No Problem.
Overlapping peaks resulting from the separation of mixtures of compounds is unavoidable in chromatography. But, what if you didn't need to worry about the overlapping peaks? That's what researchers at Supelco asked as they embarked on a recent study to characterize a new stationary phase.  They wanted to test as many different compounds as possible—hundreds or even thousands—without performing individual injections to obtain retention times for each. In an article published in the online journal The Column, read how they were able to rapidly characterize columns by employing LC/MS analysis and automated data analysis software. 

Read the article

"ACD/Labs pKa Predictions are the Most Accurate"
That is the claim of a study, published in December 2007, by a research group at the University of Pardubice. The study was carried out by M. Meloun and S. Bordovska, and is entitled "Benchmarking and validating algorithms that estimate pKa values of drugs based on their molecular structure" (Anal. Bioanal. Chem., 389, 1267–1291, 2007). It compares predicted values in four software packages (PALLAS, MARVIN, ACD/pKa DB, and SPARC), to experimental results for three sets of compounds.

Using a linear regression analysis technique (fully defined in the paper) they concluded that ACD/pKa provided the most accurate predicted values compared to the other packages, showing the best results in six different statistical characteristics.

Read the abstract and access the paper.

Download a Free Application Note

How to Apply pKa Prediction to
Chromatographic Method Development

PITTON Presentations and Where to Find us at HPLC, ASMS

Want to learn more about ACD/AutoChrom?
Visit us at the upcoming HPLC Conference and find us in the Exhibit Hall at booth #510. We'll be presenting a poster entitled LC/MS/UV Data Reduction in Purity and Stability-Indicating HPLC Method Development.

Attending ASMS?
Join us for an afternoon seminar prior to the conference, held at the Hyatt Regency at the Denver Convention Center. John Stafford (Eli Lilly and Company) will give a presentation on the Challenges of Peak Tracking in Information–Rich HPLC Experiments, where he will discuss UV and MS peak tracking algorithms.
View the Full Agenda    Register Here

Missed it at PITTCON?
ACD/Labs staff presented several talks and posters at PITTCON 2008 in New Orleans in March. Click on the links to read the abstracts and get access to the presentations.
News & Events  
News

ACD/Labs Announces an Important Investment by Sanofi-Aventis for Production Facilities in Europe—April 15, 2008 Read

Fledgling Chemists Leave the Nest Better Prepared Thanks to NMR Software—April 7, 2008 Read

Empowering Companies and People with Improved Enterprise Tools for Chemical Research—March 31, 2008 Read

   Upcoming Events

HPLC 2008
Baltimore, MD, USA
May 10–16, 2008
Booth #510

ASMS 2008
 Denver, CO, USA
June 1–5, 2008
Booth #56
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ACD/Labs is located at 110 Yonge Street, 14th floor, Toronto, Ontario, Canada M5C 1T4 We can be reached by e-mail at acdlabs@acdlabs.com.