Advanced Chemistry Development Spectroscopy Software Used for Kirk Othmer Encyclopedia of Chemical Technology
December 14, 2001, Toronto -
Advanced Chemistry Development Spectroscopy software has been chosen by Dr.David Kiemle, in order to assist in compiling data for his contribution to the Kirk Othmer Encyclopedia of Chemical Technology, 4th Ed., published by John Wiley & Sons, Inc. Dr. Kiemle is an Instructional Support Specialist at SUNY College of Environmental Science and Forestry in Syracuse, NY. As the Instructional Support Specialist for Analytical and Technical Services, he must process several NMR, MS and IR spectra on a daily basis. By using ACD/NMR Processor, ACD/MS Processor and ACD/UV-IR Processor, Dr. Kiemle is now able to process these different types of spectra in their native vendor formats.
Simplifying publication, ACD's spectral processing software can easily create reports, which include structures, tables and annotations. Reports can be exported to MS Word, MS Excel and PowerPoint, or as text and PDF files. Our processing tools also support a growing list of formats, and each application includes its own specialized features.
"I needed software that would allow me to produce publication quality spectra for documents and reports, as well as software that would make it as easy as possible to generate reports involving different vendor formats and spanning several experiments. ACD software allowed me to do this," says Dr. Kiemle. "It's such a simple software package. My approach to software is quite simple. No software should require a manual, it should be intuitive."
Dr. Kiemle is currently using ACD's Spectroscopy software in order to compile data for the 7th edition of the Spectrometric Identification of Organic Compounds.
ACD/NMR Processor is able to take raw NMR data directly from the spectrometer, using any of the key spectrometer formats and process it using a wide range of tools, including peak fitting and automatic J-coupling analysis. Some of ACD/NMR Processor's latest features include the ability to use the Peak Fitting tool kit to model any set of peaks with Gaussian, Lorentzian or mixed peak functions by optimizing the fit of positions, heights, widths and shapes of peaks. The J-coupler advanced tool for multiplet analysis automatically determines first order multiplets, calculates "stick model", and generates a standard multiplet report. ACD/NMR Processor also has metabonomic-related features which define the width of bucket, and the integral of the spectrum over each bucket.
ACD/MS Processor is able to process mass spectra using a variety of tools including auto-assign, CODA and COMPARE LCMS. There are modified separate toolbars for spectrum and chromatogram sub-windows, and the COMPARE LCMS feature allows the software user to quickly and easily define the difference between LC-MS runs. ACD/MS Processor includes a combine feature that can form a new mass spectrum with its own table of parameters, and lets the software user choose the level of mass accuracy for spectral processing and analysis.
ACD/UV-IR Processor is able to process and analyze optical spectra, in addition to handling different kinds of spectra within a single interface. Peak Fitting allows for a fully interactive interface for modeling a spectrum with Gaussian, Lorentzian or mixed peak functions. ACD/UV-IR Processor now has the ability to regularize X-step size, and detect and regularize non-evenly distributed X values when importing data from external formats containing X-Y pairs. Also, spectrum can be de-resolved or its resolution enhanced, keeping original data points and making use of FFT, spline and linear interpolation.
The Kirk Othmer Encyclopedia of Chemical Technology is one of the most revered libraries of information for the chemical industry. The 27-volume encyclopedia contains more than 27,000 pages, 800 articles, over 5,000 photos, charts, graphs, figures and tables, CAS registry numbers, and current in-depth information on regulations, patents and licensing.
According to Chemical and Engineering News, the Kirk Othmer Encyclopedia of Chemical Technology is "the most indispensable reference in the English language of all aspects of chemical technology. This edition has met its mission to provide updated articles, and to include new subjects. This is still the best reference of its kind in the English language, and the starting point for many intellectual journeys."
Advanced Chemistry Development Inc. is a leader in the field of physical property prediction, desktop chromatography and spectroscopy management, systematic naming, and Web-based access to chemistry prediction. Founded in 1993 and with headquarters in Toronto, Canada, the company employs over 90 people and has established worldwide distribution channels. ACD's mission is to define a new standard in capability for chemistry-based software, addressing the needs of spectroscopy, chromatography, physical property prediction, and chemical naming.
Learn more about our powerful spectral processing tools by visiting our website at the following links:
ACD/NMR Processor
http://www.acdlabs.com/products/spec_lab/exp_spectra/nmr/proc.html
ACD/MS Processor
http://www.acdlabs.com/products/spec_lab/exp_spectra/ms/proc.html
ACD/UV-IR Processor
http://www.acdlabs.com/products/spec_lab/exp_spectra/uv_ir/proc.html
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