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May 2012 Volume 27 Number 5 www.spectroscopyonline.com
New Spectroscopy Products at Pittcon 2012
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8 Spectroscopy 27(5) May 2012
CONTENTS
Spectroscopy (ISSN 0887-6703 [print], ISSN 1939-1900 [digital]) is published monthly by Advanstar Communications, Inc., 131 West First Street, Duluth, MN 55802-2065. Spectroscopy is distributed free of charge to users and specifiers of spectroscopic equipment in the United States. Spectroscopy is available on a paid subscription basis to nonqualified readers at the rate of: U.S. and possessions: 1 year (12 issues), $74.95; 2 years (24 issues), $134.50. Canada/Mexico: 1 year, $95; 2 years, $150. International: 1 year (12 issues), $140; 2 years (24 issues), $250. Periodicals postage paid at Duluth, MN 55806 and at additional mailing of fices. POSTMASTER: Send address changes to Spectroscopy, P.O. Box 6196, Duluth, MN 55806-6196. PUBLICATIONS MAIL AGREEMENT NO. 40612608, Return Undeliverable Canadian Addresses to: Pitney Bowes, P. O. Box 25542, London, ON N6C 6B2, CANADA. Canadian GST number: R-124213133RT001. Printed in the U.S.A .
www.spec t roscopyonl ine .com
¨
ON THE WEBNEW PODCAST SERIES
Raman Spectroscopy for Measurements in Deep Space and the Deep Ocean
An interview with S. Michael Angel of the University of South Carolina, winner of the 2012 William F. Meggers Award and a 2011 FACSS Innovation Award
The first in a new podcast series presented in collaboration with the Federation of Analytical Chemistry and Spectroscopy Societies (FACSS), in connection with SciX 2012 — the Great Scientific Exchange, the North American conference of FACSS.
Next in the series:
Bioanalytical Analysis with SERSAn interview with Duncan Graham of the University of Strathclyde, winner of the Coblentz Society’s 2012 Craver Award
spectroscopyonline.com/podcasts
WHY CHOOSE RAMAN?
In a new roundtable, experts discuss which
applications are best suited for Raman and
the current state of Raman instrumentation.
spectroscopyonline.com/TechForum
Join the Spectroscopy Group on LinkedIn: http://linkd.in/SpecGroup
DEPARTMENTSNews Spectrum . . . . . . . . . . . . . . . . . . . 12Product Resources . . . . . . . . . . . . . . . . .60
Calendar . . . . . . . . . . . . . . . . . . . . . . . . .64Short Courses . . . . . . . . . . . . . . . . . . . . 65Ad Index . . . . . . . . . . . . . . . . . . . . . . . . .66
May 2012
Volume 27 Number 5
����� �����
���
Columns
14
Classical Least Squares, Part IX:
Spectral Results from a Second Laboratory
Here, the results are examined after repeating the original experiment in
another laboratory.
Howard Mark and Jerome Workman, Jr.
20
Sample Preparation Problem Solving for Inductively Coupled
Plasma–Mass Spectrometry with Liquid Introduction Systems:
Solubility, Chelation, and Memory Effects
This tutorial on the chemical principles involved in dissolution, stability, and matrix
components will help you successfully analyze a broad spectrum of metal analytes
with ICP-MS using liquid introduction or flow injection.
R. Steven Pappas
Articles2012 Review of Spectroscopic Instrumentation at Pittcon 32
Howard Mark
Our annual review of products introduced at Pittcon, broken down into the following categories:
Accessories . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41Atomic Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41Components . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41Imaging . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45Mass Spectrometry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45Mid-IR (FT-IR) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 46NIR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 46Raman . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48Software . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48Spectroscopy (other) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56Terahertz . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56UV–visible and X-ray . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56
Cover image courtesy of
Stuart Dee/Getty Images.
ATOMIC PERSPECTIVES
CHEMOMETRICS IN SPECTROSCOPY
Your Photonics PartnerS P E C T R O M E T E R S L A S E R S TOTA L S O LU T I O N S
Contact our applications specialists at 1-302-368-7824 or visit us at www.bwtek.com
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Light Sources
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10 Spectroscopy 27(5) May 2012 www.spec t roscopyonl ine .com
Editorial Advisory Board
Ramon M. Barnes University of Massachusetts
Paul N. Bourassa Blue Moon Inc.
Deborah Bradshaw Consultant
Kenneth L. Busch Wyvern Associates
Ashok L. Cholli Polnox Corporation
David M. Coleman Wayne State University
Bruce Hudson Syracuse University
David Lankin University of Illinois at Chicago, College of Pharmacy
Barbara S. Larsen DuPont Central Research and Development
Ian R. Lewis Kaiser Optical Systems
Jeffrey Hirsch Thermo Fisher Scientific
Howard Mark Mark Electronics
R.D. McDowall McDowall Consulting
Gary McGeorge Bristol-Myers Squibb
Linda Baine McGown Rensselaer Polytechnic Institute
Robert G. Messerschmidt Rare Light, Inc.
Francis M. Mirabella Jr. Mirabella Practical Consulting Solutions, Inc.
John Monti Montgomery College
Michael L. Myrick University of South Carolina
John W. Olesik The Ohio State University
Jim Rydzak GlaxoSmithKline
Jerome Workman Jr. Unity Scientific
Contributing Editors:
Fran Adar Horiba Jobin Yvon
David W. Ball Cleveland State University
Kenneth L. Busch Wyvern Associates
Howard Mark Mark Electronics
Volker Thomsen Consultant
Jerome Workman Jr. Unity Scientific
Spectroscopy ’s Editorial Advisory Board is a group of distinguished individuals
assembled to help the publication fulfill its editorial mission to promote the effective
use of spectroscopic technology as a practical research and measurement tool.
With recognized expertise in a wide range of technique and application areas, board
members perform a range of functions, such as reviewing manuscripts, suggesting
authors and topics for coverage, and providing the editor with general direction and
feedback. We are indebted to these scientists for their contributions to the publication
and to the spectroscopy community as a whole.
©20
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www.spec t roscopyonl ine .com12 Spectroscopy 27(5) May 2012
Raman spectroscopy is a powerful analytical technique that has rapidly developed from an impractical concept into a powerful handheld technique. The inherent advantages of Raman spectroscopy have led to rapid growth in demand from pharmaceutical and government organizations. As is typical in a fast-growing market, the competitive landscape is very dynamic. Raman spectroscopy can identify an extremely wide range of chemicals and compounds. Water does not interfere with Raman, and the technique can also analyze samples through transparent containers, which is a major advantage when investigating potentially hazardous materials. But perhaps the biggest advantage of Raman is the specificity of the technique, which eliminates the need for any method development or modeling. For many years Raman was an impractical technique, but technological innovations have rapidly brought it into the mainstream and have resulted in an explosion in the availability of handheld and portable Raman analyzers. The largest areas of industrial demand are in pharmaceuticals and in government. Demand has grown rapidly for on-dock inspection of incoming raw
materials, final product QC, and other applications in the pharmaceutical industry. Various governmental agencies are increasingly relying on Raman for reliable identification of potential explosives, chemical weapons, and narcotics. First responders are finding portable Raman analyzers an extremely valuable tool for quickly and accurately identifying
potential hazards. There are now at least a dozen competitors in the portable and handheld Raman market, compared to almost none before 2006. Thermo Fisher Scientific is the strong leader, with more than 40% vendor share.
The worldwide market for portable and handheld Raman was more than $85 million in 2011 and should continue to see strong double-digit growth in the years ahead. The foregoing data were extracted from SDiÕs market analysis and perspectives report entitled The Global Assessment Report, 11th Edition: The Laboratory Life Science and Analytical Instrument Industry, October 2010. For more information, contact Stuart Press, Vice President, Strategic Directions International, Inc., 6242 Westchester Parkway, Suite 100, Los Angeles, CA 90045, (310) 641-4982, fax: (310) 641-8851, www.strategic-directions.com.
Market Profile: Portable Raman Spectroscopy
New Optical Technique Promises Rapid and Accurate Malaria Diagnosis A new optical imaging system, developed by an international
team of researchers, uses “speckle imaging,” an optical
sensing technique that measures the differences in how laser
light bounces off the membranes of healthy and infected red
blood cells and may make diagnosing malaria easier, faster,
and more accurate.
In a paper published in the Optical Society’s (OSA) open-
access journal Biomedical Optics Express, researchers
explain that by comparing the apparently random scattering
(speckling) of light as it builds up from multiple images,
a clear statistical pattern emerges that identifies cells that
harbor the parasite responsible for malaria. The team
presents its preliminary results involving 25 cell samples (12
healthy, 13 infected) in the paper.
The specific technique the researchers used is called
secondary speckle sensing microscopy. By applying this
imaging technique to an automated high-throughput system,
the researchers were able to deliver results in as little as 30
min. They did so with a high rate of accuracy and without
the need for highly trained technicians and a well-equipped
hospital laboratory. The current time for diagnosis in most
African medical centers is typically 8–10 h.
“A new diagnostic tool is urgently needed,” said Dan Cojoc,
lead author of the study and a researcher at the Materials
Technology Institute, National Research Council (Trieste,
Italy). “With a fast, portable, low-cost, and accurate diagnostic
tool, physicians can confidently and quickly administer the
correct therapy.”
According to the researchers, this timely diagnosis
maximizes the likelihood of successful, life-saving treatment.
It also minimizes the chances that inappropriate therapy will
be given, which would help combat the growing problem of
drug resistant malaria.
Malaria is most common in warm, wet climates where
mosquitoes thrive. It claims nearly one million lives a year,
mostly of African children.
Ultrafast Spectroscopy Provides Clear Understanding of How Glass Behaves A research group led by University of Michigan (Ann
Arbor, Michigan) chemist Kevin J. Kubarych has applied
ultrafast spectroscopy to observe the fastest molecular
motions of a liquid hovering just above its glass transition
temperature.
Working with UM chemistry graduate students John
King and Matthew Ross, Kubarych found that even on the
time scale of picoseconds there are signatures of “dynamic
arrest” in which the molecules become locked into their
positions and long-range motion grinds to a near halt, though
structurally, the glass is indistinguishable from a liquid. ◾
News Spectrum
Other Non-Government - 11%
Defense (Government) - 36%
First Responders(Government) - 23%
Pharmaceuticals - 21%
Other Government - 9%
11%
36%
23%
21%
9%
Handheld and portable Raman demand by industry for 2011.
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CAST TM will help you create more effective
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All designed to achieve your specifi c
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Find out how CASTTM can work for you by
contacting Mike Tessalone at 732-346-3016
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Integrated Database Reach
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Print Magazine Universe.................................... 54,605
eNewsletter Universe ........................................ 82,966
Total Print Magazine and eNewsletter Universe .... 99,598*
Pharmaceutical Science Conference Attendees.... 40,000
Pharmaceutical Science Webinar Attendees ......... 41,581
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www.spec t roscopyonl ine .com14 Spectroscopy 27(5) May 2012
Chemometrics in Spectroscopy
Howard Mark and Jerome Workman, Jr.
After reporting the previous results at Pittcon in 2009, we were able to arrange to have the experiment repeated at a different laboratory. Here, we examine the spectra similarly to the way we examined the spectra from the original laboratory.
Classical Least Squares, Part IX: Spectral Results from a Second Laboratory
This column is the next continuation of our discus-sion of the classical least squares (CLS) approach to calibration (1–8). In our previous column (8), we
had found that neither weight percent, mole percent of the components, nor calculation of the percentage of hydrogen atoms from the various components, even after being cor-rected for density, gave results corresponding to the spec-tral results obtained.
Matters stood thus and this “mystery” was reported at Pittcon 2009 (9).
The report of these results generated considerable inter-est during that conference session. Comments from the audience ranged from “That’s the simplest possible chemo-metric experiment, that’s why nobody ever did it before!” to “It really should have worked!” and “I’m going to swear off chemometrics!” As we will see, however, matters were not so dire, although it did take some time and more work to unravel the “mystery.” The results of that work, however, potentially point the way toward methods for improving the chemometric calibrations we develop.
At the end of the session, there was a small group of at-tendees that assembled to discuss possible ways to attack and solve this mystery. A consensus quickly developed that the first activity that good science calls for, especially when there’s a mystery, is to repeat the experiment, and preferably to have a different scientist perform the repeti-tion. David Heaps, at that time affiliated with AstraZeneca Corp., along with his colleague Kelly Sill-Drahos volun-
teered to repeat the experiment in his laboratory to verify that the results we had obtained were not spurious. The conditions used for this experiment are shown in Table I (compare with Table II of reference 5).
Besides the differences in equipment, there were some other minor differences between the two experiments. Some of the differences were purposeful and some were accidental. The following differences were known and pre-determined:• Measurements were performed using both a 2-mm
pathlength sample cell and a 1-mm sample cell.• Samples were made up by volume percent rather than
weight percent.An interesting dichotomy can be seen here. The first set
of samples, made up according to the experimental design specified (see Table I in reference 5) used samples measured out to the weight values specified in the original experiment. In this second set of samples, the liquids were measured vol-umetrically using pipettes. Thus, because of the differences in densities between the various materials and the difference in interpretation of the design table, the mixtures used by the two laboratories were not the same, despite both of them adhering to the same experimental design.
Spectral ResultsThe initial examination of the spectral data from this sec-ond laboratory repeated fairly closely the examination of the spectral data from the first laboratory (5,6) to verify the
www.spec t roscopyonl ine .com16 Spectroscopy 27(5) May 2012
integrity of the spectral data. In addition, another set of spectral comparisons was made. This new set of compari-sons was the comparison of the pure-component spectra from the two laboratories. These comparisons are shown in Figures 1 and 2.
The spectra in Figures 1 and 2 show that both labora-tories are measuring essentially the same spectra for the same materials. The spectra in Figure 3, however, differ markedly from each other.
This posed quite a conundrum. Did something go wrong with the spectrometer? Did one of the laboratories
1
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0.7
0.6
0.5
0.4
0.3
0.2
0.1
04000 5000 6000 7000 8000 9000 10,000
Wavenumber
Transm
ittance
Figure 1: Comparison of toluene spectra from the two laboratories.
Spectra were baseline-corrected.
1
0.8
0.6
0.4
-0.2
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0
4000 5000 6000 7000 8000 9000 10,000
Wavenumber
Transm
ittance
Figure 2: Comparison of n-heptane spectra from the two laboratories.
Spectra were baseline-corrected.
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use a different material? If so, which one? And what mate-rial was used instead?
After considerable consultation with both laborato-ries, and with compendia of spectra (10,11), the answer emerged. The use of a different material was purposeful, but there was an unfortunate communications gap. The second laboratory (AstraZeneca) used chloroform instead of dichloromethane, because chloroform was available and dichloromethane wasn’t, at that time.
Although our original intention was to repeat the first experiment exactly, after some deliberation we concluded that mixtures of toluene, chloroform, and heptane were as well suited to our purposes as mix-
0.8
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0.4
-0.2
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0
4000 5000 6000 7000 8000 9000 10,000
Wavenumber
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ittance
Figure 3: Comparison of (purported) dichloromethane spectra from the
two laboratories. Spectra were baseline-corrected.
0.75
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1
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0.85
0.8
6700 6800 6900 7000 7100 7200 7300 7400 7500 7600 7700
Wavenumber
Absorbance
Figure 4: Toluene–chloroform binary mixtures from the second
laboratory. Note that the limited range is used so that it could be
expanded for easier viewing.
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tures of toluene, heptane, and dichloromethane were. We therefore proceeded to analyze these mixtures, both spectrally and mathematically, as we did with the samples from the first laboratory. In the end, it turned out that the use of the two different materials was ben-eficial to the overall goal of determining the effects that were operating in our spectra.
We will not repeat here, plotting all the spectra cor-responding to the ones we showed in our previous columns (5,6), for the first laboratory. For comparison purposes, however we will show a representative set, and plot the spectra of the three sets of binary mix-tures; these are presented in Figures 4–6.
The continuum of spectra, going from one pure material to the other, in each of figures indicates that the spectra from this second laboratory also are behaving as expected, and should provide eminently satisfactory numerical re-sults when subjected to CLS analysis.
However, two differences from the previous spectra also are apparent:
• The baseline of each spectrum is considerably offset from zero.
• The baseline from one spectrum to another is some-what erratic.
The baseline offset and the differences between them are attributed to the fact that the cell used did not fill the sample beam of the instrument, and therefore small, unavoidable variations in the positioning of the cell had an inordinate effect. Inasmuch as the baselines for the pure materials are also correspondingly offset, the presence of the offset in the mixture spectra should not pose any particular problems. The differences between baselines of different samples would be expected to give rise to a nonzero value of B0, the constant term of the least-squares computation.
We also show, in Figure 7, transmittance spectra of all mixtures in the 4000–5000 cm-1 region. It is clear that in the 4000–4500 cm-1 range, most of these samples are completely absorbing, so it was necessary to edit out the 4000–4500 cm-1 spectral region, as we found we had to do with the first set of spectra, before computing any numerical results.
0.75
0.7
0.95
0.9
0.85
0.8
6700 6800 6900 7000 7100 7200 7300 7400 7500 7600 7700
Wavenumber
Absorbance
Figure 5: Toluene–n-heptane binary mixtures from the second
laboratory. Note that the limited range is used so that it could be
expanded for easier viewing.
0.75
0.7
1
0.95
0.9
0.85
0.8
6700 6800 6900 7000 7100 7200 7300 7400 7500 7600 7700
Wavenumber
Absorbance
Figure 6: Chloroform–n-heptane binary mixtures from the second
laboratory. Note that the limited range is used so that it could be
expanded for easier viewing.
Table I: Experimental conditions used by the second laboratory
Location AstraZeneca laboratory
Instrument Thermo Antaris
Resolution used 2 cm-1 (reported at data spacing 0.96423 cm-1)
Number of scans co-added 32
Cell pathlength 1 mm, 2 mm
Sample temperature 21 °C
Reference method Air background before each scan
Spectral range 4000–10,000 cm-1
Basis of sample preparation Volumetric
Materials Toluene, n-heptane, (see text for third component)
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 19
Stay tuned to our next column as this mystery unfolds; we will continue by computing the numerical results, as we did with the data from the first laboratory.
References
(1) H. Mark and J. Workman, Spectros.
25(5), 16–21 (2010).
(2) H. Mark and J. Workman, Spectros.
25(6), 20–25 (2010).
(3) H. Mark and J. Workman, Spectros.
25(10), 22–31 (2010).
(4) H. Mark and J. Workman, Spectros.
26(2), 26–33 (2011).
(5) H. Mark and J. Workman, Spectros.
26(5), 12–22 (2011).
(6) H. Mark and J. Workman, Spectros.
26(6), 22–28 (2011).
(7) H. Mark and J. Workman, Spectros.
26(10), 24–31 (2011).
(8) H. Mark and J. Workman, Spectros.
27(2), 22–34 (2012).
(9) H. Mark, “Chemometric Calibra-
tion Without Matrices (Almost)”
presented at Pittcon 2009, Chicago,
Illinois 2009.
(10) J. Workman, Handbook of Organic
Compounds 1st Edition (Academic
Press; London 2001).
(11) T. Hirschfeld and A. Zeev Hed, The
Atlas of Near Infrared Spectra
1st Edition (Sadtler Research
Laboratories, Philadelphia,
Pennsylvania, 1981).
Howard Mark
serves on the Edito-rial Advisory Board of Spectroscopy and runs a consulting service, Mark Electronics (Suffern, New York). He can be reached via
e-mail: [email protected]
Jerome Workman,
Jr. serves on the Editorial Advisory Board of Spectroscopy and is the executive vice president of Engineering at Unity Scientific, LLC,
(Brookfield, Connecticut). He is also an adjunct professor at U.S. National University (La Jolla, California), and Liberty University (Lynchburg, Virginia). His email address is [email protected]
For more information on this topic, please visit:
www.spectroscopyonline.com
0.06
0.04
0.02
0
0.2
0.18
0.16
0.14
0.1
0.12
0.08
4000 4100 4200 4300 4400 4500 4600 4700 4800 4900 5000
Wavenumber
Transmittance
Figure 7: All samples from the second laboratory, plotted in transmittance. The limited range is
used so that it could be expanded for easier viewing.
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FDM Raman PolymersFDM Raman Polymers
Raman Shift (cm-1)100020003000
Polybutadiene, phenyl terminated, Mn=1300, 9003-17-2
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Atomic Perspectives
Liquid introduction, in general, and f low injection, specifically, are the most widely used sample intro-duction methods for inductively coupled plasma–
mass spectrometry (ICP-MS). Nevertheless, problems persist in the determination of analytes that are com-monly investigated, as well as in specialty applications for those seldom considered by most analysts. Under-standing the chemistry that is common to different groups of analytes allows the development of successful approaches to rinse-out and elimination of memory ef-fects. This understanding also equips analysts for devel-oping successful elemental analytical approaches in the face of a broad spectrum of matrices and other analyti-cal challenges, whether the sample is solid or liquid.
The majority of ICP-MS applications for elemental analysis utilize liquid sample introduction whether or not the original sample was a liquid. The relative ease or difficulty of a given analysis depends on several factors, including the matrix and the chemistry of the analyte.
Probably the simplest matrix for elemental analyti-cal purposes is water (that is, fresh water with low dis-solved solids). Nevertheless, there are analysis problems with some analytes even in this matrix. General solu-bility rules state that alkali metal and ammonium ions are soluble in the presence of most anions. However, even in the presence of low concentrations of halide and polyatomic anions, many other metals hydrolyze
R. Steven Pappas
In inductively coupled plasma–mass spectrometry (ICP-MS), problems persist in the deter-mination of analytes that are commonly investigated as well as in specialty applications for those seldom considered by most analysts. Understanding the chemistry that is common to different groups of analytes permits the development of successful approaches to rinse-out and elimination of memory effects. It also equips analysts for development of successful elemental analytical approaches with a broad spectrum of matrices and other analytical challenges, whether the sample is solid or liquid.
Sample Preparation Problem Solving for Inductively Coupled Plasma–Mass Spectrometry with Liquid Introduction Systems: Solubility, Chelation, and Memory Effects.
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www.spec t roscopyonl ine .com22 Spectroscopy 27(5) May 2012
and form poorly soluble hydroxides or oxides in water. When there is an absence of acid (or base in some cases), one may get an incomplete picture of the metal profile in a water sample because the poorly soluble hy-droxide or oxide accumulates on walls of tubing, spray chambers, and nebulizers. An illustration of how such an incomplete profile may occur is presented in Figure 1. A total of 10 sequential water samples from an ultra-pure water system were analyzed for 238U intensity in counts per second (cps) in low resolution with a mag-netic sector ICP-MS using a perf luoroalkoxy (PFA) 100 μL/min nebulizer and PFA double-pass spray chamber. If an analyst were to use uranium calibration standards diluted in ultrapure nitric acid before analyzing these samples, the uranium content would appear undetect-able. A NIST 1643e water standard reference material (SRM) would give the appearance of validating the method accuracy. However, the NIST 1643 water SRM matrix contains 5% HNO3 to stabilize the characterized analytes in the water solution.
Samples 11–20 in Figure 1 are acidified with 1% ul-trapure nitric acid. It is obvious that the 238U counts are elevated approximately 20-fold in all samples after the initiation of sample acidification. However, the approximate 100-fold increase in sample 11 dem-onstrates that 238U from unacidified ultrapure water alone was accumulating in the introduction system. From that point on, the U continues to be mobilized and rinsed from the introduction system until it reaches a constant level. Thus, without proper sample preparation, sample carryover from accumulation could result in a false negative determination.
Figure 1 illustrates that the solvent and rinse solu-tion for a given method must account for the analyte’s aqueous chemistry. Nitric acid (1–5%) is commonly used for metal dissolution and stabilization for ICP-MS analysis. Nitric acid is a strong acid, and general solubility rules suggest that nitrates are soluble. The hydronium counter-anion from nitric acid is nitrate, thus it would superficially seem to be the universal solvent for metals. It is an appropriate choice for many inorganic analytes. Dilute nitric acid also is commonly used in diluents for urine analysis for this reason.
Memory EffectsThere are metals, however, that are well known for memory effects when 1–5% nitric acid is used as a rinse solution. Memory effects are defined as the per-sistence of a given elemental signal after the analysis of a sample and a reasonable rinse time. A simple explanation for the causes of many memory effects can be made using the Pearson hard–soft acid–base (HSAB) theory as a model for coordination of a given metal (1). Though this dated model does not explain every case, it serves a useful purpose in general for approaching stabilization and rinse-out from an intro-duction system.
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In the Pearson model, thorium is a very hard acid cation metal. Hard acid cation metals are preferen-tially coordinated by hard base anion ligands. If solid thorium oxide is placed in dilute nitric acid, it will slowly dissolve. The affinity of thorium for the oxygen ligands in neutral thorium oxide is strong. Because of this affinity, dissolution and stabilization of tho-rium as a hydrated cation in dilute nitric acid is not completely successful. Even thorium halides tend to precipitate as neutral hydrate halides over time. How-ever, the addition of a dilute f luoride ion to a solution (when possible) may improve the rinse-out character-istics of thorium. Fluoride is a harder base anion li-gand than oxygen and a better nucleophile than water oxygen atoms or other halides. For these reasons, f luo-ride can effectively compete with oxygen for coordina-tion to thorium. However, even ThF4 is poorly soluble. When a sufficient concentration of f luoride is present for formation of anionic complexes such as [ThF6]2-, then the charged complex is quickly rinsed through the system without a memory effect. A rinse solution of 5% (v/v) nitric acid with 5% (v/v) hydrof luoric acid has been shown to eliminate thorium memory effects in urine at trace concentrations (2,3). Care must be taken because of the f luoride ion’s neurotoxicity and the facile absorption via inhalation or dermal expo-sure. Safety concerns must be addressed when using sources of f luoride such as hydrof luoric acid or am-monium f luoride, and proper personal protection and appropriate fume hood ventilation must be used. In addition, the use of hydrof luoric acid necessitates an inert introduction system that includes a f luoropoly-mer nebulizer and spray chamber and a sapphire or alumina injector.
Mercury is an example of an element that exhibits memory effects for multiple reasons. According to Pearson’s HSAB theory, mercury is a soft acid cation metal. Soft acid cation metals are more readily co-ordinated by soft base anion ligands, such as sulfur and halides other than f luoride. Soft acid cations also generally have higher electronegativities and more easily deformable orbitals, and they more read-ily form bonds with greater covalent character than hard acid cation metals. Therefore, mercury and simi-lar metal ions form strong metal-sulfide and halide bonds. Environmental mercury commonly occurs in organomercury forms such as dimethylmercury and methylmercury halide. Even mercury(II) chloride has covalent characteristics in metal–chloride bonds. Be-cause mercury(II) chloride is also linear and nonpolar, it is readily soluble in organic solvents such as ethyl acetate, pentyl acetate, and diethyl ether (4). This co-valent, and sometimes nonpolar, character suggests an explanation for one cause of mercury’s memory effect: adhesion to nonpolar surfaces such as polymeric tub-ing. Another cause of mercury’s memory effect is that it is easily reduced. Nitric acid does not coordinate
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www.spec t roscopyonl ine .com24 Spectroscopy 27(5) May 2012
well with mercury and catalyzes its reduction in the presence of a re-ducing agent. Elemental mercury is neither lipophilic nor hydrophilic (5,6). Presumably, it migrates into crevices to escape either organic or aqueous solvents. Chelation of
mercury ions with soft base anion ligands is a solution for avoiding such memory effects. Bromide and iodide ions strongly coordinate with mercury, but they form insol-uble mercury halides. Chloride is more soluble and therefore is a bet-
ter choice, and it aids in long term stabilization against reduction; but, as stated above, mercury(II) chloride is readily adsorbed on hy-drophobic surfaces. Only when suf-ficient hydrochloric acid or another source of chloride is present at concentrations approaching 1 M or greater will mercury(II) be found predominantly in the [HgCl4]2- water-soluble anionic form. Such an excessive concentration of chlo-ride ions would form Cl+ and ArCl+ species in the plasma and contrib-ute to analyte signal suppression as a result of space-charge effects. In addition, such high concentrations of chloride may cause problems with rinse-out or stability of other elements such as thallium. Thus, though chloride from 1% HCl is sufficient to maintain long-term mercury stability in solutions, chelation with chloride may not be the most practical way to eliminate mercury’s memory effect from a liquid introduction system.
300
250
200
150
100
50
0
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
Sample number
Nitric acid begins
Resp
on
se (
cps)
Figure 1: Illustration of the accumulation of poorly water-soluble metal oxides on sample
introduction system surfaces from 10 ultrapure water samples versus continuous rinse-out when
the water is acidified. The decline in 238U counts per second from sample 11 to 16 occurs as nitric
acid dissolves and mobilizes the accumulated U from the surfaces.
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 25
One approach to eliminating the mercury memory effect is il-lustrated in a practical application with analysis of mercury in blood in alkaline solution with a chelat-ing agent. The discussion of this application also addresses the anal-ysis of metals in a more complex matrix than water or even urine.
Metals in Blood
Blood is a highly proteinaceous matrix containing hydrophobic lip-ids in cell membranes and in lipid transport proteins. Proteins gener-ally do not tolerate acidic matrices well, specifically blood proteins. Acid causes precipitation and clumping of many blood proteins. Even slightly acidic solutions can have detrimental effects on blood consistency because the isoelectric point (pI) of many proteins, the pH at which the net protein charge is neutral, falls between pH 5 and 6. In this pH range, many proteins are as vulnerable to precipitation as in
denaturing acidic solutions. In ad-dition, most of the metals in blood are found in the cells or chelated by
cell membrane functional groups. Therefore if the cells settle, or are not homogeneously dispersed,
1400
Net
Sig
nal (c
ps)
1200
1000
800
600
400
200
0
-200
0 5 10 15 20 25 30 35Time (min)
Standard
spike
Figure 2: Hg washout: 0.01% thiourea, a soluble sulfur ligand (red), worked as effectively as 100
ppb gold(III) chloride + 0.01% EDTA (blue). The peristaltic pump was equipped with 0.45-μm i.d.
PVC pump tubing. The liquid flow rate was 600 μL/min.
www.spec t roscopyonl ine .com26 Spectroscopy 27(5) May 2012
different analytical results could be obtained from the same blood sample. There are successful meth-ods for elemental analysis of blood in acidic diluent, but additional precautions usually need to be made to ensure that nebulizers are not blocked and protein precipitate “strings” do not accumulate on or in the injectors.
A rugged method for elemental analysis of blood will take into ac-count these aspects of the blood matrix, as well as the metals being analyzed. Freezing the sample until the day of analysis is benefi-cial because the freeze–thaw cycle ruptures many cell membranes. This allows for equilibration of cytosolic metals with the extra-cellular matrix, thus decreasing
possible differences in sampling precision caused by clumps of cells. Before sampling blood, it should be thoroughly vortexed to disperse the cells. Detergents such as Triton X-100 (Dow Chemi-cal Co.) are often used in blood metals analyses to solubilize and disperse lipid membranes in blood samples (7–9). Detergents also aid in membrane protein solubilization and dispersion. Although many proteins respond poorly to both concentrated base and acidic dilu-ents, dilute base is generally better tolerated than dilute acid. For this reason, tetramethylammonium hydroxide has been used as an ef-fective diluent for blood, usually in conjunction with Triton X-100 detergent (7–9). Unfortunately,
many metal ions are not soluble in base. Therefore, a chelating agent is necessary when using a dilute basic diluent to minimize surface losses in the introduction system. For mercury and other soft acid cations, a chelating agent with sulfur ligands such as pyrrolidin-ecarbodithioic acid ammonium salt (APDC) provides excellent rinse-out while maintaining mercury(II) in the oxidized state (9). The use of a water-soluble compound with a sulfur ligand, thiourea, is shown in Figure 2 as an example of using a soft base anion chelator to rinse-out several micrograms per liter of mercury(II) spiked into blood from a PerkinElmer AS93 autosampler. It is compared to the rinse-out obtained with another commonly used combination (AuCl3 + EDTA). By eliminating the need for a high soft acid cation gold concentration (added in excess to compete with mercury for the reduction or chela-tion with ligands that form poorly soluble compounds), signal sup-pression because of space-charge effect in the ICP-MS is decreased, while accomplishing the same rinse characteristics as with the use of excess gold.
Chelating LigandsFluoride is not the best chelating ligand for all hard acid cations, and sulfur is not the only chelating ligand that can be used with soft acid cations. However, to offer a rough approximation, one can say that hard acid cations are chelated better with nitrogen, oxygen, or f luorine ligands, and soft acid cat-ions are better chelated with sulfur
Table I: Bond strength between metal and oxygen ligand from water or oxide affects relative facility of chelation by EDTA. Harder base or smaller, more nucleophilic ligands more readily compete with water oxygen or oxide ligands for chelation.
Metal ion ~z2/r (pm) Chelation Ability
Mg2+ 0.047 Readily chelated by EDTA
Cr3+ 0.12 Chelated by EDTA, heat, or hours
Ti4+ 0.22 Not easily chelated by EDTA
Si4+ 0.3 Not easily chelated by EDTA
H(HA)
Li(HA)
Be(HA)
Na(HA)
Rb(HA)
Cs(HA)
Ba(HA)
La(HA)
Fr(HA)
Ra(HA)
Ac(HA)
Ce(HA)
Pr(HA)
Nd(HA)
Pm(HA)
Sm(HA)
Eu(HA)
d(HA)
Tb(HA)
Dy(HA)
Ho(HA)
Th(HA)
Pa(HA)
U(HA)
Np(HA)
Pu(HA)
Am(HA)
Cm(HA)
Bk(HA)
Cf(HA)
Es(HA)
Er(HA)
Tm(HA)
Yb(HA)
Lu(HA)
Fm(HA)
Md(HA)
No(HA)
Lr(HA)
Hf(HA)
Ta(HA)
W(HA)
Re(IA)
Os(IA)
Ir3+
(IA)Pt
(SA)Au
(SA)Hg(SA)
TI+
(SA)Pb
(SA)Bi
(IA)At*(SB)
Po6+
(IA)Po6+
(IA)
In+
(IA)Sn2+
(IA)Sb3+
(IA)
Sr(HA)
Y(HA)
Zr(HA)
Nb(HA)
Mo(HA)
Tc(IA)
Ru(IA)
Rh3+
(IA)Pd
(SA)Ag
(SA)Cd(IA)
In3+
(HA)Sn4+
(HA)Sb5+
(HA)Te
(SB)I
(SB)
K(HA)
Ca(HA)
Sc(HA)
Ti(HA)
V(HA)
Cr(HA)
Mn(HA)
Fe3+
(HA)Fe2+
(IA)
Co3+
(HA)Co2+
(IA)
Ni(IA)
Cu2+
(IA)Cu+
(SA)
Zn(IA)
Ga(HA)
Ge(HA)
As5+
(HA)As3+
(IA)
Se(SB)
Br(SB)
Mg(HA)
B(HA)
C(SB)
N(IB)
O(HB)
F(HB)
Al(HA)
Si(HA)
P(SB)
S(SB)
CI(IB)
Hard base(HB)
(IB)
(SB)
(HA)
(IA)
(SA)
Intermediate base
Coordinatesbetter with
Coordinatesbetter with
Intermediateacid
Soft acid Soft base
* EstimateHard acid
Figure 3: Cation acid and base anion characteristics for making appropriate choices of acid
or chelating ligand in solutions and diluents. The charges shown in some cases are not a true
representation of the form that would be found in solution. They represent only a common
oxidation state.
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 27
or chlorine ligands. Figure 3 shows the hard and soft cation or anion characteristic of the most common oxidation states of many elements for analytical purposes (adapted from Wulfsberg [1]).
Not all matrices are liquids. Laser ablation has come a long way as a quantitative technique for many solid samples in the last 10 years, many elemental applica-tions are still better performed by somehow liquefying the sample. Depending on the sample, this may involve alkaline decomposition, acid digestion, or borate fusion.
Alkaline DecompositionAlkaline decomposition is some-times used to liquefy biological tissues. Carbohydrate, protein, or other biopolymers may be decom-posed under alkaline conditions. This is not an oxidative digestion. Carbon is not eliminated as CO2, but solid biological samples may often be dissolved with an alkaline solution such as tetramethylammo-nium hydroxide as biopolymers are broken down by the base (10).
Alkaline decomposition rapidly decomposes even solid biological samples such as skin, nails, and hair (10). Unfortunately, it also degrades many organic chelating agents such as EDTA, DTPA, and APDC (11). Thus, when alkaline decomposition is used, analysts should be aware that organic che-lating will need to be replaced after the decomposition or should be added after the dissolution of the matrix. It has been reported that free gadolinium (a hard acid cation) in tris hydrochloride buf-fer alone was lost during liquid chromatography–ICP-MS (LC–ICP-MS) analyses by accumula-tion in the size-exclusion column unless EDTA or DTPA (chelating agents with hard base anion oxygen ligands) was present. When hair was enzymatically dissolved near neutral pH, the chelating agents for gadolinium were not destroyed as they were during alkaline decom-position of hair (12).
Microwave DigestionMicrowave digestion is a common technique for bringing organic or inorganic solids into solution for analysis by ICP-MS. There are numerous variations on ap-proaches to the acid mixtures used to accomplish oxidative digestions using a microwave system. There are too many to cite in a brief re-view, so only one good f lexible model will be cited here. Environ-mental Protection Agency (EPA)
Method 3052 is a very effective and f lexible method for digestion of a wide variety of matrices. Typically, 100–250 mg of sample is digested at 180 °C for 9–20 min after a 5–10 min ramp. For simple matrices, the digestion is accomplished only with 9 mL of nitric acid. However, the option to add limited amounts of hydrogen peroxide, hydrochlo-ric acid, and hydrof luoric acid depending on the matrix and the analyte requirements make it one
www.spec t roscopyonl ine .com28 Spectroscopy 27(5) May 2012
of the most f lexible methods avail-able. One application, the diges-tion of smokeless tobacco samples, was accomplished using 9 mL of nitric acid, 0.5 mL of hydrogen peroxide, 0.5 mL of hydrochloric acid, and 0.5 mL of hydrof luoric acid (13). The additions were all within the limits of the method specifications. The principal acid, nitric acid, is an oxidizing acid for the destruction of organic matter, and one in which many metals will
be very soluble as discussed ear-lier. However, it was noted that not all tobacco digestions were com-plete. Therefore, a small amount of hydrogen peroxide was added to support the complete oxidation of organic matter to CO2. Though colorless solutions indicated com-plete digestions, a white precipi-tate was noted; early work showed that lead and arsenic recoveries were low. The addition of 0.5 mL of hydrochloric acid produced a
chloride ion to stabilize these ana-lytes. The white precipitate was presumed to be insoluble silicates, because plants accumulate silicates for structural and other physi-ological purposes. The addition of 0.5 mL of hydrof luoric acid (see precautions described earlier) was sufficient to ensure that silicates were also dissolved in subsequent digestions. However, the addition of 0.75 mL or 1 mL of hydrof luoric acid caused another precipitation. Although calcium and magnesium are readily chelated by f luoride, their f luorides are not as soluble as those of some metals. Apparently, 0.5 mL of hydrof luoric acid was sufficient to dissolve the silicates, but an excess caused additional problems. This illustrates the im-portance of the optimum quantity of chelating ligand for effecting solubility, as described earlier for thorium. In the former case, the addition of too little HF would not sufficiently aid in the introduc-tion system rinse-out, whereas in the latter case, too much caused precipitation of calcium and mag-nesium. These amounts had to be empirically determined.
Chelation Considerations
Before considering more chal-lenging analyses and matrices, a fundamental understanding of the nucleophilicity of potential chelat-ing ligands is often informative. In Table I, the chelation of several cations with EDTA is considered. As stated before, the charges on the cations are intended to represent the oxidation state and not the form in which they will be found in solution. Because the magnesium ion has a relatively low charge and large ionic radius relative to the other ions, its attraction to hydra-tion-sphere water oxygen atoms is comparatively weaker than the attractions to oxygen in the other cases. Even though neither the carboxyl oxygens nor the tertiary amino groups of EDTA are strong nucleophiles, EDTA is readily able to compete with hydration-sphere
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water molecules for chelation of magnesium. Because of its rela-tively greater charge and smaller ionic radius, chromium(III) has a much greater attraction to oxygen atoms from water. The displace-ment of these ligands by EDTA or even by other water molecules has a half life of hours unless heated to increase the rate of coordination by EDTA. Titanium(IV) and sili-con, however, are poorly chelated by EDTA. The binding of oxy-gen atoms by these oxides is very strong.
Titanium(IV) oxide and silicon in silicates can be viewed together as examples of extremely hard acid cations — high oxidation states and very small ionic radii. To-gether, these characteristics make them challenging targets for disso-lution whether they are considered analytes or as difficult matrix com-ponents. Because of their high oxi-dation states and effective nuclear charges, they have a very strong at-traction to hard base anion ligands. In the compounds mentioned, the ligands are the oxygens in their three-dimensional structural forms. Water oxygens are not suffi-ciently nucleophilic to successfully attack the respective electrophiles and break the metal–oxygen bonds. Fluoride, usually from hydrof luoric acid (see precautions described earlier) is the most commonly used nucleophile for attacking the titanium(IV) or silicon ion because it is more strongly chelated as a hard base anion ligand for each cation in a water matrix than the water oxygens. Water would only be hydrolyzed by these hard acid cations anyway. An example of the use of hydrof luoric acid to dissolve silicates was described above in the analysis of tobacco.
Hydroxide, the conjugate base of water, is also much more strongly nucleophilic than water. Basic con-ditions have been used to dissolve silicates because hydroxide may successfully attack the silicon-ox-ygen bonds. Thus, the analyst who cannot use hydrof luoric acid for
instrumental or safety reasons has an alternative. However, the analyst must consider the solubil-ity of many cations in base, and the fact that organic chelating agents are labile to concentrated hydroxide.
Borate Fusions
An example of an application in which silica and other oxides were analyzed in a titanium(IV) oxide excipient matrix used an approach
to aluminum oxide and silica dis-solution with basic borate fusion (14). This approach includes heat-ing with potassium hydroxide and borate from boric acid. As dis-cussed, hydroxide is a strong nu-cleophile, but heating weakens the metal–oxygen bonds and increases the nucleophilic reaction rate. Even though the fusion breaks down the titanium, aluminum, and silicon oxide lattices, the ad-dition of water permits some ref-
www.spec t roscopyonl ine .com30 Spectroscopy 27(5) May 2012
ormation of insoluble oxides after hydrolysis. Borate, however, is able to disperse between the various oxides at the elevated temperatures and act as an intervening ligand to prevent reformation of a tight lattice, rendering the fused metals more soluble. Many borates also are very soluble. For the analysis of other metals from the matrix, one would still need to dilute and add an appropriate chelating agent. However, this example illustrates the use of appropriate chemistry to effect a solution to a matrix problem.
ConclusionThe most commonly used tech-niques for sample analysis with ICP-MS continue to be liquid in-troduction and f low injection. To utilize these standard techniques, analysts must render the matrix soluble and the analytes mobile in solution whether the sample was originally a solid or a liquid.
To successfully develop and per-form analyses of a broad spectrum of metal analytes in solution from a variety of matrices, a general understanding of the chemical principles involved for dissolution, stability, and rinse-out for matrix components and analytes is help-ful. However, it is difficult to know the chemistry of every element and every oxidation state in the periodic table. Thus, adaptation of a general model to understand approaches to applications involving the dissolu-tion, stabilization, and rinse-out of matrix components and analytes will aid in devising approaches for method development. The Pearson hard–soft acid–base principle was used as a general model to approach such problems in this review.
In general, this approach relies on the use of soluble hard base anion ligands for coordination of hard acid cation metals, and soft base anion ligands for coordination of soft acid cation metals.
Dissolution of matrix compo-nents may be accomplished utiliz-ing techniques such as alkaline decomposition, microwave acid digestion, and borate fusions.
Once analytes are dissolved and appropriately stabilized in solu-tion, the most challenging part of method development for liquid introduction systems is accomplished.
AcknowledgmentThis tutorial was adapted from the first half of a course presented at the 7th International Conference on Sector Field Inductively Cou-pled Plasma Mass Spectrometry in 2008 and the 2012 Winter Confer-ence on Plasma Spectrochemistry on sample preparation for liquid introduction systems.
The findings and conclusions in this report are those of the author and do not necessarily represent the views of the Centers for Disease Control and Prevention.
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References
(1) G. Wulfsberg, Inorganic Chem-
istry (University Science Books,
Sausalito, California, 2000), pp.
191–228.
(2) B.G. Ting, D.C. Paschal, J.M. Jar-
rett, J.L. Pirkle, R.J. Jackson, E.J.
Sampson, D.T. Miller, and S. Caudill,
Enviro. Res. 81, 45–51 (1999).
(3) R.S. Pappas, B.G. Ting, J.M. Jarrett,
D.C. Paschal, S.P. Caudill, and D.T.
Miller, J. Anal. Atomic Spectrom. 17,
131–134 (2002).
(4) S.N. Tandon and C.B. Gupta, Ta-
lanta 18, 109–112 (1971).
(5) S. Okouchi and S. Sokichi, Bulletin
of the Chemical Society of Japan
54, 2513–2514 (1981).
(6) Y.V. Alekhin, N.R. Zagrtdenov,
R.V. Mukhamadiyarova, and A.S.
Smirnova, Bulletin of the Depart-
ment of Earth Sciences, Rus-
sian Academy of Sciences, doi.
10.2205/2011NZ000136 http://
onznews.wdcb.ru/publications/
v03/asempg11ru/2011NZ000136R.
pdf (2011).
(7) J.A. Moreton and H.T. Delves, J.
Anal. Atomic Spectrom. 13, 659–
665 (1998).
(8) T. Delves, VAM Bulletin 20, 16–21
(1999).
(9) W.J. McShane, R.S. Pappas, V.
Wilson-McElprang, and D. Paschal,
Spectrochimica Acta Part B 63,
638–644 (2008).
(10) I. Rodushkin and M.D. Axelsson,
Sci. of the Total Environ. 250, 83–
100 (2000).
(11) V. Loreti and J. Bettmer, Anal.
Bioanal. Chem. 379, 1050–1054
(2004).
(12) R.S. Pappas, E.C. Obot, J.D. Thomas,
and R.Y. Wang, “Gadolinium and
Gadolinium-DTPA Complex Bind-
ing Studies in Hair and Plasma
Proteins,” presented at the 2010
Winter Conference on Plasma Spec-
trochemistry, Fort Myers, Florida,
2010.
(13) R.S. Pappas, S.B. Stanfill, C.H. Wat-
son, and D.L. Ashley, J. Anal. Toxi-
col. 32, 281–291 (2008).
(14) M. Mutsuga, K. Sato, Y. Hirahara,
and Y. Kawamura, Food Add. and
Contamin. Part A. 28, 423–427
(2011).
For more information on this topic, please visit our homepage at: www.spectroscopyonline.com
R. Steven Pappas is a research chemist and tobacco
inorganics team lead in the volatile organics and tobacco
branch, in the Division of Laboratory Sciences, at the National
Center for Environmental Health, U.S. Centers for Disease
Control and Prevention, in Atlanta, Georgia. Please direct
correspondence to: [email protected].
www.spec t roscopyonl ine .com32 Spectroscopy 27(5) May 2012
As usual, there was concern at the 63rd Pittsburgh Confer-ence on Analytical Chemistry and Applied Spectroscopy (Pittcon 2012) about how well the conference is doing. Al-
though this reviewer heard casual comments about how the show appeared smaller and the aisles less crowded, other comments by some exhibitors indicated good attendance at their booths, and “quality” leads from those attendees who stopped in.
Despite these comments, we can only go by the figures. The total cumulative attendance was 15,754 as compared to the final 2011 attendance of 17,199. A breakdown of the attendance by attendee type and a comparison with previous Pittcons can be found at: http://www.pittcon.org/exhibitors/attendstats.php.
Here are some other attendance figures from information given on the Pittcon website and from e-mails they distributed:•Exhibiting companies: 948•Booths: 1854•Exhibiting companies from outside the US: 191•Number of countries: 28•First-time exhibitors: 119•Companies participating at sponsorship level: 6• Individual presentations in the technical program (including
posters): 2000 • Invited speakers: >100•Short courses: 95•Short course registrants: 1400
Some of the large, previously stalwart, instrument companies were notable by their absence or by their presence in only a nomi-nal way. Countering that effect were many new small exhibitor companies (completely new or just new to Pittcon — see above). By most accounts, these smaller companies are the source of most innovation in any technology, so the attendance decrease is not the whole story. I try to find all of those new companies to include here, because nurturing new small companies is an important function of such things as this review (and of Pittcon itself, to be sure).
Over the years, long-time attendees note the arrival and depar-tures of trends (or “fashions”) in the instruments and booths seen. I remember when going to my first Pittcon (I won’t say when that was, but you can guess from my comments) that I was impressed by the fact that just about every booth contained an oscilloscope, for displaying some results or other; that was the fashion at the time. Now, I understand that the fashion is based on the market-ing consideration of being perceived as the company keeping up
with the latest technology. Those oscilloscopes eventually faded from view, to be replaced by calculators (computers as such were still in the future); and then still more recently, of course, comput-ers and other electronic displays became ubiquitous.
Early on, the acceptance of these new devices increased slowly. Their capabilities were limited; the personal computer (PC) (which at that time meant the units from Commodore, Amiga, Apple, and a few other small manufacturers) were not exactly impressive, and their cost was relatively high. Furthermore, they were not entirely trusted. Until the advent of the IBM PC, what that average person (or scientist) in the street knew about comput-ers was largely based on dramatic (and dramatized) news stories about how some (mainframe) computer or other used in a payroll application would reward some lucky person with a multimil-lion dollar paycheck when figuring out their deductions and net pay. This did not inspire a whole lot of confidence in those “new-fangled devices”!
Eventually, of course, the IBM PC did come on the scene. That, plus the appearance of the Macintosh computer (from Apple), gave small computers credibility among the business and aca-demic markets. This, aided by their greater capabilities and the development of better software, led to their more widespread acceptance as auxiliaries to scientific instruments (with corre-sponding prominence at Pittcon), and their current position in the industry. However, those are also fading to some extent now, because the controlling computers are being incorporated into the electronics of the instruments themselves, rather than being separate devices.
Despite this trend, there remains the need for users to interact with and control the instrument. I think that at Pittcon 2012 we saw the start of the next new trend (or fashion) in instrumentation in this regard: the incipient use of cell phones and tablet comput-ers as the controlling devices for the instrument. Because of the practical effect that the control link is wireless, these seem likely to become more prominent and widespread. As such, everything will be controlled by the latest new paradigm of computerdom: “There’s an app for that!”
An ongoing development for the last several years, of course, has been the decreasing size of instrumentation. This trend is continuing, with technologies that previously required multiton devices now able to be held in the palm of your hand. We will be pointing out some of these.
Howard Mark
Our annual review of products introduced at Pittcon
2012 Review of Spectroscopic Instrumentation at Pittcon
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www.spec t roscopyonl ine .com34 Spectroscopy 27(5) May 2012
Table I: Index of companies mentioned in this article
Company Name Category Listed Under Company Name Category Listed Under
1st Detect Mass spectrometry Hellma Accessories
ABB Analytical Measurements Mid-IRHitachi High Technologies America, Inc.
Accessories, Software
Advanced Chemistry Development, Inc.
Software Horiba ScientificAccessories, Imaging, Raman, Software, Spec-troscopy (other), UV–vis
Advantest Corporation Terahertz Ibsen Photonics UV–vis
Advion Mass spectrometry Ionicon Analytik GmbH Mass spectrometry
Agilent TechnologiesComponents, Mass spectrometry
Ionics Mass spectrometry
Anasys Instruments Mid-IR Ion Sense, Inc. Components
Andor Technology Components inno-spec GmbH Accessories
Applied Research & Photonics Terahertz International Crystal Laboratories Accessories, Components
Applied Rigaku Technologies X-ray IRCAMERAS, LLC Imaging
Applied Separations Accessories Iridian Spectral Technologies Components
Arjae Spectral Atomic spectroscopy JASCO Spectroscopy (other)
Avantes Accessories, UV–vis JDS Uniphase NIR
Axiom Analytical, Inc. Accessories Laser Quantum Components
BaySpec, Inc. NIR, Raman Laxco, Inc. UV–vis
Bio-Rad Laboratories Software Livermore Instruments, Inc. Mass spectrometry
BioTools, Inc. Raman and Software Lovibond North America UV–vis
Block Engineering Accessories, Mid-IR MecaSYS Co., Ltd. UV–vis
B&W Tek Accessories, NIR, Raman Middleton Research Imaging
Bruker Corporation Mass spectrometry Mightex Systems Components
Bruker Optics Imaging Milestone, Inc. Accessories
Bruker Optik GmbH NIR Moxtek, Inc. Accessories and X-ray
Buck Scientific Atomic spectroscopy Mustard Tree Instruments Raman
CEM Corporation Accessories nanoLiter, LLC Mass spectrometry
Cetac TechnologiesAccessories, Atomic spectroscopy
Netzsch Instruments North America, LLC
Mass spectrometry
Cobolt AB Components Newport Corporation Components
Cole-Parmer See picoSpin Nippon Instrument Corporation UV–vis
CVI Melles Griot Components NSG Precision Cells, Inc. Accessories
Daylight Solutions Components Ocean Optics Components, NIR, UV–vis
DeltaNu (a business unit of Intevac Photonics)
Raman Operant LLC Software
Distek, Inc. Accessories PANalytical Atomic spectroscopy
Edax Components, Software PD-LD, Inc. Components
Eigenvector Research Inc. Software PerkinElmer Atomic spectroscopy
Enwave Optronics, Inc. Raman Photonis Accessories
Excellims Corporation Spectroscopy (other)picoSpin, LLC (Cole Parmer is the international distributer)
Spectroscopy (other)
FiberTech Otica Accessories Pike Accessories
Fiveash Data Management, Inc. Software Prior Scientific, Inc. Components
Fluid Imaging Technologies, Inc. Imaging Protea Biosciences Group, Inc. Accessories
Foss NIR Systems NIR QuantIon Technologies Components
FTRX LLC Mid-IR Real-Time Analyzers Raman
Glass Expansion Components Renishaw plc Raman
Hamamatsu Corporation Components and Raman Rigaku Raman Technologies Raman
Harrick Scientific Products, Inc. Accessories RPMC Lasers Components
Patented RockSolidTM interferometer for excellent sensitivity, reproducibility and stability
QuickSnapTM sampling modules for; solids, liquids, powders and gases
Easy-to-use OPUS/Mentor software, with powerful library search functionality
10 year warranty on Laser and Interferometer
Discover the ALPHA at: www.brukeroptics.com/alpha
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www.spec t roscopyonl ine .com36 Spectroscopy 27(5) May 2012
Table II: Accessory products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Applied Separations
SFE Spectrometer Assembly - P/N
9850
Optical spectrometer inside an SFC
reactor
SFE apectrometer assembly - P/N
9850
The instrument incorporates a high-performance CCD spectrometer with a bifurcated fiber-optic probe and a sapphire vessel window. It is 21CFR11 compliant, cGMP compliant, and compat-ible with other manufacturers’ equip-ment. The instrument reportedly allows the user to view real-time spectra inside a supercritical fluid reactor, at elevated temperatures and pressures, and judge the progress of reaction without shutting down and sampling reactants. Addition-ally, with a properly chosen source and fiber, the detector will operate from 400 to 1500 nm.
Avantes AvaGigE Gigabit Ethernet converters
Not applicable These converters reportedly connect up to 16 AvaSpec spectrometers and make them controllable from any location on the planet through the internet.
Axiom Analytical, Inc.
DMD-270Flx Mid-IR ATR probe for laboratory
analysis
ATR Flexible coupling to laboratory reaction vessels without the drawbacks of solid-core mid-IR fibers. Impervious to attack by most chemicals.
Axiom Analytical, Inc.
FCT-550 NIR transmission cell
Transmission The instrument is a robust, yet economi-cal fiber-optic coupled cell designed for large scale deployment.
Axiom Analytical, Inc.
FPT-750TA NIR transmission probe
Transmission Fiber-optic coupled transmission probe featuring tantalum coating which is impervious, for demanding applications such as bromination reaction monitoring.
Axiom Analytical, Inc.
FPT-850SC NIR transmission probe
Transmission Fiber-optic coupled transmission probe. Built-in spray nozzle for on-line composi-tion monitoring eliminates the need to remove the probe for window cleaning.
Block Engineering LaserTune Tunable mid-IR laser
Not applicable Tunable quantum cascade mid-IR laser over ranges 1600–1000 cm-1 and 1430–830 cm-1 (under software control)
B&W Tek, Inc. PolymerIQ xyz positioning stage for Raman
Raman scatter Accurate, nondestructive, qualitative, and quantitative measurements of polymers and additives. Resists high temperatures and pressures. Available in any path-length.
B&W Tek, Inc. CleanLaze Spectrum stabilized laser
system
Not applicable Features include: narrow linewidth (<0.03 nm), power output from 50 mW to 4 W, and lifetime > 10,000 h
Table I: Index of companies mentioned in this article (continued)
Company Name Category Listed Under Company Name Category Listed Under
Shanghai Mapada Instruments Co., Ltd.
UV–vis tec5USA UV–vis
Shimadzu UV–vis TekMark Growth Partners Components
Silk Scientific, Inc. Software Teledyne Leeman Labs Atomic spectroscopy
Spectraline, Inc. UV–vis Thermo Fisher ScientificMass spectrometry, Software, Raman, Software, and UV–vis
Spex CertiPrep Accessories UVP, LLC Components
Spex SamplePrep Accessories VHG Labs, Inc. Accessories
Starna Cells, Inc. Accessories Voltage Multipliers, Inc. Components
Stellarnet, Inc. Accessories Waters Corporation Mass spectrometry
Symbion Systems, Inc. Software Wilks Enterprises, Inc. Mid-IR
The Analytical X-ray Company
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Table II: Accessory products (continued)
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
CEM Corporation MARS 6 Microwave sample digestion
All atomic spectroscopy
One-touch programming, automatic recognition of vessel type and number, automatic determination of all the pa-rameters necessary for complete reaction, improved power and temperature control capabilities, dual magnetrons (1800 W), redesigned cavity and waveguide, full-color, high-resolution, and glass capaci-tive touchscreen.
Cetac Technologies
XLR-8 Extended rack autosampler
AA, ICP, ICP-MS, TOC, and UV–vis
Features include unattended operation, easy setup, and self-cleaning.
Distek, Inc. Opt Diss UV fiber-optic probe
In-situ transmission for UV
Features include reduced costs and rapid sampling rates.
FiberTech Optica Miniature fiber optic Raman probe
with internal filtering
Raman spectroscopy
accessory
Raman scattering The line of Raman probes is a new prod-uct for FTO, featuring proprietary optical design and internal filtering for improved signal collection efficiency. The probe is designed for laboratory use, but process versions are under development.
Hellma Fiber-optic probe Fiber-optic probe with variable path
length
Transmission Multiple light paths, used at high tem-perature and pressure (up to 100 bar). Features high chemical resistance, rugge-dized fiber cables, and high transmission.
Harrick Scientific Products, Inc.
Diamond Probe Mid-IR fiber-optic probe
ATR Stand-off up to 1.5 m
Hitachi High Technologies America, Inc.
U-5100 Microsampling UV–vis accessory
Transmission Low-volume 1–5 mm cells
Horiba Scientific Cathodolumines-cence Universal
Extension (CLUE)
Accessory for SEM Cathodolumin-escence
Provides high resolution spectral infor-mation for imaging and spectroscopy analysis, with the spatial resolution of an electron probe.
inno-spec GmbH Scanner table XY Positioning table combined with
NIR spectrograph and scientific NIR
camera
Pushbroom imaging
Freedom from lubricants, prestressed trap-ezoidal nut, preload force 50 N, manually and continuously adjustable radial clear-ance. For use in life science, neuroscience imaging, FRET studies, material science, forensics, and quality control applications.
International Crystal Laboratories
Heated Variable Path Length Cell
Sampling accessory
Sampling accessory for laboratory
applications
Transmission The pathlength of this cell can be varied in increments of 0.001 mm up to a maxi-mum of 5 mm. Cell construction allows the user to vary pathlength while the cell is in the instrument compartment in heated state. The variable pathlength cell can reportedly be precisely adjusted to provide just the right intensity for exact location of both weak and strong bands and is heatable to 200 °C.
Milestone, Inc. The UltraWAVE Single reaction chamber for microwave digestion
Sample prep for AES and AAS
Digests trace metals in mixed batches of samples in a single run for faster analysis of pharmaceutical, food, clinical, consum-er products, and petrochemical samples.
Moxtek DuraBeryllium Plus Coating for X-ray windows
X-ray Chemical resistance
NSG Precision Cells Inc.
Premium Calibration Kit 1
Set of photometric calibration standards
UV–vis Unlimited lifespan; comes with user’s manual, certificate of calibration, and lifetime warranty. It can be used for checking the photomertric accuracy of a spectrophotometer or spectrometer and can be used in any spectrophotometer.
NSG Precision Cells Inc.
NSG WAV-1 Holmium oxide glass wavelength
calibration standard
UV–vis Standards that never need to be replaced or recalibrated because of material aging.
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 39
Another innovative development, along with the decrease in size, has been the decrease in power requirements. Aided by the use of semiconductor sources (such as light-emitting diodes [LED] and infra-red-emitting diodes [IRED]) to replace incandescent lamps, the low-power elec-tronic technologies and improved batter-ies developed for cell phones have enabled some technologies to become more inde-pendent of mains power. This trend also
has been taken one step further in instru-ments that dispense with the battery and derive all their power from the USB con-nection to the control computer.
This year, we are incorporating some in-novations in our annual review. One new feature is the splitting of the review be-tween the hard-copy version and a new on-line version that will be accessible at www.spectroscopyonline.com/Pittcon2012. The hard-copy version is a shorter and more
condensed version, while the on-line ver-sion is more extensive and detailed. The for-matting of both versions has been updated.
As we have done in the past, our listings indicate whether a given instrument is for the laboratory (that is, a fixed location), for process applications, or portable (handheld) deployable. For several instruments, we will also include their size or weight, especially for instruments that are portable or trans-portable. This provides readers with a pre-
Table II: Accessory products (continued)
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
NSG Precision Cells Inc.
NSG WAV-7 Didymium glass wavelength cali-bration standard
UV–vis Standards that never need to be replaced or recalibrated because of material aging.
Photonis Resistive glass capillary tubes
Replacement for standard MS inlet
capillary tubes
MS Resistive glass uses an electric field to preferentially attract ions, increasing throughput and sample size for a more reliable analysis.
Pike Technologies Long-path FTIR gas cells
Gas cells for FT-IR Transmission Features gold-coated mirrors and easy main-tenance cells for air pollution applications.
Protea Biosciences Group, Inc.
LAESI DP-1000 direct ionization
system
Sample introduc-tion for mass
spectrometers
Laser ablation and electrospray ionization
2D and 3D imaging of sample's molecular profile. Living cells and tissues can be analyzed. Compatible with standard 96- and 384-well plates.
Spex CertiPrep 1ppm Single- Element CRM
CRM for calibrat-ing ICP and ICP-MS
ICP All major elements and a variety of matrices available. Includes information for 60 impu-rities. Ships with COA. ISO 9001-certified.
Spex CertiPrep Trace Metals in Wine Standards
CRM for ICP or ICP-MS of wine
ICP or ICP-MS Red or white wine matrix, packaged in convenient, single-use ampules. Ships with COA for more than 60 elements. ISO 9001 certified.
Spex SamplePrep 6970EFM Freezer/Mill
Cryogenic grinder Sample preparation
Cryogenic grinding of tough samples for DNA and RNA extraction, grinds samples that are impossible to grind at room temper-ature without risk of thermal degradation.
Starna Cells Inc. Starna DMV-Biocell
UV–vis ultralow-volume cell
Transmission Features high-energy throughput and a magnetic retention closure mechanism for DNA and protein analysis.
Stellarnet, Inc. Digital Microscope Accessory for spectrometers
Digital microscope Reflection, transmission, and
fluorescence
Integrates with fiber-optic spectrometers. Small, lightweight system, adjustable magnification (220× to 400×), connects to your PC via USB. Applications include: material analysis, food and agriculture, biology, ecology and environmental studies, biotech and medical, forensics, printing and art, gemology, semiconduc-tor, and fabrics and textiles.
VHG Labs, Inc. Karl Fischer Certified
Reference Standards
Accessory for Karl Fischer apparatus
Accessory for Karl Fischer apparatus
These standards are now classified in the company’s scope of accreditation to ISO Guide 34. Literature includes a certifi-cate of analysis. The standards can be used with ASTM D6304 to determine the amount of water present in motor oil. The test reportedly offers a high degree of accuracy.
VHG Labs, Inc. PTP 17043 Accessory for ICP-OES, XRF, rotrode, UV fluorescence,
or finematic viscometer
spectrometer
Accessory for ICP-OES, XRF, rotrode, UV fluorescence,
or finematic viscometer
spectrometer
ISO/IEC 17043 certified on-line proficiency testing program. Product includes a physical sample and on-line reporting. Submitted data is evaluated using error, normalized (En).
www.spec t roscopyonl ine .com40 Spectroscopy 27(5) May 2012
cise idea of just how portable a given unit is (just a few are labeled as transportable, meaning they can be easily moved even though it may not be possible to carry them by hand).
As noted, the trend toward decreasing instrument size and the increasing pres-ence of smaller instruments is still con-tinuing. The need for such instruments seems unlikely to abate, and “robot trans-portable” seems to be coming in vogue.
There was only one nuclear magnetic resonance (NMR) manufacturer repre-sented. Thus, NMR was included in the new category “Spectroscopy (other).” This is the second year when electron spin reso-nance (ESR) was seen.
Once again, I organized this review according to the wavelength region and type of spectroscopy involved. I tried to arrange it so readers could easily com-pare instruments from different manu-facturers, even though this structure may sometimes lump together instru-ments of the “good enough is OK” type with ultraprecise laboratory designs. As I
mentioned earlier, there is a new category: “Spectroscopy (other).” This is a catchall category for instruments that only have one manufacturer representing them, so that they did not warrant a separate list-ing of their own. The instruments in this category are circular dichroism, NMR, ion mobility, and a fluorometer with a supercontinuum source.
The categories we used in this review to classify the instruments (in alphabetical order) are as follows:
AccessoriesAtomic spectroscopyComponentsImagingMass spectrometryMid-IR (FT-IR)NIRRamanSoftwareSpectroscopy (other)TerahertzUV–visibleIt is inevitable that some categories in-
clude products from companies that might
arguably also be classified under one of the other categories. These categories include accessories, components, imaging, and software. For example, a Raman imaging spectrometer might be found under the Raman category or the Imaging category. I tried to be consistent, but can’t guaran-tee perfection in this regard. Thus, if a product is not found in an expected cat-egory, others should be checked. Another holdover is the index (Table I), which, if you know the name of a company you want to find, will tell you under what heading to find it. Of course, some com-panies with products based on multiple technologies will have multiple entries, but then presumably you know which type of instrument you’re looking for.
Another new innovation in the presen-tation is the formatting of the informa-tion in the print-issue review as a short paragraph describing any particularly in-teresting instruments followed by a table that summarizes the features of the instru-ments listed. The on-line version contains a series of appendixes that include addi-
Table III: Atomic spectroscopy products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Arjae Spectral Sensei Atomic emission spectrometer
Transmission and reflection
Research instrument for all applications
Arjae Spectral SHEER Atomic absorption spectrometer
Transmission and reflection
Research instrument for all applications
Buck Scientific 230ATS Automated touchscreen
atomic absorption spectrometer
Atomic absorption New firmware on a Linux-based tablet com-puter, automated wavelength and slit selec-tion, hideaway keyboard, four front-facing USB ports, graphite furnace, and autosam-pler. In-line background correction.
Cetac Technologies
QuickTrace M-7600 Mercury analyzer Cold vapor atomic spectroscopy
Features ultratrace to sub-ppm analysis, real-time data, and small sample volume.
PANalytical OBLF GS 1000-II AES spectrometer OES Dual counterelectrode self-cleaning spark stand is capable of making two measure-ments, which increases analytical speed.
PerkinElmer Optima 8x00 Series ICP-OES
Spectrometers
ICP-OES spectrometers
ICP and OES Benchtop, dual-view ICP-OES spectro- meters delivering superior detection limits and true simultaneous measure-ments, using half the argon of traditional systems with no loss in performance
PerkinElmer PinAAcle 900 AA spectrometers Atomic absorption Cutting-edge fiber-optic technology, with a fully contained optical system, TubeView col-or furnace camera, and different configura-tions, including flame only, furnace only, and stacked designs featuring both. Reportedly features the lowest detection limits on an AA instrument and a space-saving stacked design of flame–furnace combination.
Teledyne Leeman Labs
Hydra II Mercury analyzer Atomic absorption and transmission
Fully automated (sampler, combustion furnace), transfer of sample weight to software; combustion or catalyst tube can be replaced in minutes without tools; gold amalgamator concentrator for exceptional sensitivity; extended analysis mode.
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 41
tional detailed information, correspond-ing more closely to previous reviews.
We also endeavored to give a synopsis of salient features for each product, or at least as much as could be included in limited space. We follow a “features-benefit” format that describes not only the key features of a given instrument but also the meaningful-ness of those features to the user.
Accessories
The accessories category (Table II) includes a wide range of products, in terms of wave-length coverage (X-rays to terahertz and microwaves), size and weight (from mini-fiber couplers and Hitachi’s microvolume accessory to large sample-handling acces-sories), power requirements (from USB-powered devices to [almost] 2 kW magne-trons). For example, Stellarnet provides a USB-powered digital microscope.
The past year was a good year for ac-cessories to be noticed. Some products in this category stand out. One is the Pro-tea LAESI DP-1000, which garnered the bronze Editor’s Award. Another Editor’s
Award honoree is Block Engineering’s Quantum Cascade laser which, incorpo-rated into their new IR spectrometer, won honorable mention in this competition.
Several products are special high-tem-perature or high-pressure versions of oth-erwise standard products, and some are specially designed and intended to allow the user to perform measurements under extreme conditions.
Atomic spectroscopy
Progress is sometimes incremental. All the companies listed in the atomic apectros-copy category (Table III) have improved ca-pabilities, such as higher-speed analysis or better sensitivity. Better analytical capabili-ties are sometimes achieved by combining two technologies in a single instrument, as PANalytical and PerkinElmer did. Others, such as Teledyne Leeman, improved ease-of-use and user-interface issues.
Arjae Spectral has an interesting ad-ditional feature: they manipulate the op-tical beam to produce a 15× greater light throughput than expected, with a corre-
sponding increase in signal-to-noise ratio. Of course, you can’t tell from marketing materials what their trick is, but my guess is that it’s akin to the use of nonfocusing optics, such as those used in solar concentrators to increase their throughput and efficiency.
The above-named companies are all exhibiting general-purpose spectrometers. CETAC, on the other hand, provides an in-strument designed and configured for one specialized type of measurement, in this case mercury vapor measurement, for which the most important property is sensitivity.
components
As a category, components (Table IV) is as varied as accessories. Different products have different characteristics that are ap-plicable to that type of product. “Frames per second” capability, for example, is found only in high-speed imaging devices, such as Andor Technology’s high-speed cam-era. It would be completely inapplicable, for example, to Glass Expansion’s sample collection devices, or to Agilent’s nebulizer.
Dispersive Ruggedized
Real-time Solutions
MovingLab™ Raman MicroscopePortable
Instrument
Custom Raman Module
Nomadic™ Raman Microscope–three wavelength configuration
RamSpec™ Benchtop
1101 McKay Dr., San Jose, CA 95131 | (408) 512-5928 | [email protected] | www.bayspec.com Pervasive Spectroscopy
Fiber-optic Portable Raman Analyzer Ideal for on-line and reaction Monitoring in real-time
� High temp/pressure probes � Dipping probe � Custom fiber bundle � 532, 785, 1064nm laser excitation
Bench Top Raman Spectrometer with various sampling options ideal for QA/QC, lab use
� Full spectral range 150-3200 � High resolution 4 cm-1
for 532, 785, even 1046nm � High reproducibility & accuracy
For more information contact BaySpec at (408)512-5928 or email to: [email protected], and visit our website www.bayspec.com
Dispersive Raman Microscopes
� Nomadic - 532,785 & 1064nm in one automated laser switching for easy operation automated stage for Raman imaging
� MovingLab available with 532/785/1064 Portable Raman microscope ideal for field and lab use
BaySpec™ provides a full line of Raman instruments from custom OEM module, portable, bench Top, to Raman microscopes. Integrated
its patented VPG grating technology (>99% efficiency), TE deep cooled detectors and fast electronics, BaySpec’s Raman family features
high sensitivity, high resolution, compact, and ruggedized that are ideal either for on line real time monitoring or for laboratory use.
BaySpec™ Full Spectral Solution For Raman Spectroscopy
www.spec t roscopyonl ine .com42 Spectroscopy 27(5) May 2012
Table IV: Components
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Agilent Technologies
OneNeb Nebulizer ICP-OES and ICP-MS
Flow-blurring nebulizatIon, <2-µm aerosol, for the analysis of very high dissolved salts, brines and fine chemicals, free hydrofluoric (HF) in geochemical fusions, as well as met-als and petrochemical products.
Andor Technology iStar ICCD camera OES and imaging Ultrafast acquisition (>55,500 Hz or 15 frames/s), with ultrahigh sensitivity (1 photon). VUV to NIR spectral range.
Cobolt AB Flamenco 660-nm, 400-mW laser
Raman High wavelength stability and spectral purity; for Raman spectroscopy.
CVI Melles Griot IR band-pass filters Bandpass filters mid-IR Features optimized transmission, broad blocking, abrasion resistant, environmental durability, standard and custom geometry.
CVI Melles Griot Miniature Stepper Shutter
For IR cameras mid-IR Low power consumption, impact, and wear; shock and vibration resistant; oper-ates from -40 °C to +70 °C.
Daylight Solutions TLS-41032 CW-PLS 3.25-µm external cavity laser mid-IR
laser
Transmission, reflection, or ATR
modes
This product is a single-stage, broad tuning laser that can access the 3.25-µm wavelength — a wavelength region that accesses the fundamental vibrational fre-quency of almost all C-H bonds. This laser reportedly features high resolution, high brightness, and low divergence.
Daylight Solutions TLS-31100-UT Über Tuner
Broad-tuning external cavity
mid-IR laser
Transmission, reflection, or ATR
modes
A broad-tuning ECqcL covering 10–12.4 µm with a single chip, as well as covering a substantial portion of the “fingerprint region” where many organic molecules have unique, strong absorptions. This laser reportedly features high resolution, high brightness, and low divergence.
Edax Hikari XP EBSD camera Imaging EBSD detector, 45% faster, market lead-ing sensitivity and precision, 650 indexed patterns per second, 0.1° precision
Edax Apollo XRF-ML50 Detector For Orbis micro-XRF
spectrometer system
Cryogen-free operation, 40% faster, new internal collimator design for ease-of-use, faster results; higher sensitivity, lower background signal. Recommended for trace analysis, for example Sr/Zr in glass particles and mapping of trace and minor elements.
Glass Expansion Assist Oils Package Sample collection for crankcase oil
ICP-MS High-volume wear metals laboratory
Glass Expansion Agilent D-Torch Demountable torch
ICP-MS For high-salt samples; simple maintenance.
Glass Expansion New Improved Niagara Plus
Customized valve for ICP
spectrometers
ICP Any high-salt application or one in which low-level silicon is being measured, any ICP-OES or ICP-MS application where higher sample throughput is desired or where carryover is an issue. Need to replace only the outer tube when it degrades, instead of the whole torch. Optional ceramic outer tube is silicon free and immune from devitrification.
Hamamatsu Corporation
Cooled photo-multiplier tubes
Temperature-stabilized PMT
Raman or fluorescence
Small size, low LOD, stable measure-ments, and high sensitivity
Hamamatsu Corporation
S11850-1106 Cooled back-thinned CCD
UV to NIR detectors
Stable, high-sensitivity measurements
Hamamatsu Corporation
L9455 5-W xenon flash lamp
Transmission, reflection
Point light source, color temperature 15,000°, spectral output from UV to IR
Hamamatsu Corporation
L10671 UV–vis fiber light source
Absorption spectroscopy
High radiant power, good output stability, and low voltage operation
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pesticide free and you chose the SCION TQ GCMS triple quad system from
Bruker to make sure.
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10-100 times lower than the required regulation. You‘re smiling because Bruker
Innovation made implementation so easy. Key innovations like Compound
Based Scanning (CBS),; “lens-free“ elliptical ion-path providing ultra-high
sensitivity and noise reduction with less tuning and maintenance; Axial ion
source for robust performance with the toughest samples set SCION TQ
apart from the rest. Whether your application is in food testing, environmental
analysis, forensic/toxicology, sports doping SCION TQ will exceed your
expectations and put a smile on your face.
Visit www.scionhasarrived.com for more information.
www.spec t roscopyonl ine .com44 Spectroscopy 27(5) May 2012
Table IV: Components (continued)
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
International Crystal Laboratories
Cadmium Magnesium
Telluride
X- and gamma-ray detector material
X- and gamma-ray measurement
Room-temperature detector material. Applications range from nonproliferation and airport security to medical diagnostic devices and spectroscopic applications.
Ion Sense, Inc. DART-OS Ion source
Mass spectrometry ion source and
sampling system
Mass spectrometry OpenSpot card provides streamlined analysis. Software operates from iPod Touch or any web browser. Personnel with any educational level can operate it and get results.
Iridian Spectral Technologies
Black absorbers Optical filters UV–vis–NIR Developed new black absorber coatings covering the 300–1200 nm wavelength range, which are available as either standalone coatings or patterned with other wavelength selective filters.
Iridian Spectral Technologies
Optical filters/ coatings on plastic
Optical filters UV–vis–NIR Optical filter performance using durable and reliable coatings on plastic films and substrates, resulting in stronger and lighter optical filters.
Iridian Spectral Technologies
Patterned/ multizone filters
Optical filters UV–vis–NIR Multiple filters on a single substrate pro-vide robust filter assemblies or patterned filters.
Iridian Spectral Technologies
MWIR and LWIR optical filters
Optical filters Mid IR and LW IR Filters for IR gas measurements (H2O, CH4, CO2, and CO).
Laser Quantum Torus 750-mW, 532-nm single frequency
laser
532 nm Actively mode locked, achieves stability within 5 picometers across 20 °C back-ground temperature shift, highly robust: 1200g drop test, 30° temperature cycle, <1 MHz linewidth.
Mightex Systems Full-spectrum LED light source
Sources UV–vis Coverage of 235–940 nm range, ad-justable higher intensity, low power consumption, fast response, sections of spectrum may be turned on or off.
Newport Corporation
OptoFlash UV–vis spectrometer
engine
Transmission Plug-in device includes Stabilife coatings and Si photodiode array in a miniature package. Measurement speeds of 33 ms with linearity of > OD 3.5.
Ocean Optics Vivo NIR light source module (accessory)
vis–NIR, NIR Attaches directly to Ocean Optics’ RTL-Stage for stability and control; active cooling reduces overheating; for analysis of drugs, food safety, grains, and oils.
Ocean Optics bluLoop UV–vis–NIR light source
UV–vis–NIR Four tunable LEDs balance spectral outputs, giving high reliability of color values.
PD-LD, Inc. LS-1 Laboratory source Raman Self-contained stabilized laser system with fully adjustable power and illumination control, volume Bragg grating, optical output. Output controlled by MEMS-based switch.
PD-LD, Inc. LS-2 Laboratory source Raman First stabilized dual laser source for shifted excitation Raman difference spec-troscopy (SERDS). Narrow linewidth laser for Raman spectroscopy, Bragg grating. (VBG technology) provides stability to within 0.0005% nm.
Prior Scientific, Inc. Lumen 200S Fluorescence illumination
system
Fluorescence Contains high-speed shutter, control via RS232, USB, TTL, and the Prior Scientific ProScan III controller shutter port.
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 45
Those have their own strong points, which pertain to the nature of the component (low carryover for Glass Expansion’s valve, and resistance to HF for Agilent’s nebulizer). Therefore, these listings should consider each manufacturer’s products on their own merits, and no attempt should be made to compare various manufacturers’ products that are based on different criteria.
So what’s the difference between a com-ponent and an accessory? In my mind, and more importantly in my usage and classifi-cation of products, a component is a device that can be used in the construction of an instrument and thus become an integral part of it; if it’s not there then the instru-ment will not work, or at least it will be se-verely degraded. An accessory is a device that can optionally be used in conjunction
with an instrument and is generally ex-ternal to it; the instrument will work just fine without it, but the accessory extends the capabilities. Futhermore, an accessory can be removed to return the instrument to its previous performance level, whereas a component generally cannot be removed except by a factory-trained expert.
imAging
Imaging (Table V) is the category of prod-ucts that creates the most difficulties in the choice of classification. Every imaging de-vice has to image something, and indeed every imager uses a technology (for ex-ample, IR or NMR) that also is used with-out imaging. Indeed, NMR imaging (in a medical context) is in such widespread use
that the name had to be changed (to mag-netic resonance imaging) to avoid scaring the ultimate beneficiaries through the use of the word nuclear. So when looking for a Raman imager, for example, don’t for-get to look under Raman as well as under imaging. How did I decide where to place a given device? It was purely a matter of my interpretation of the manufacturers’ descriptions of their products whether the imaging or the underlying technology was of more importance. It was purely idiosyn-cratic, because I decided it was hopeless to even try for consistency.
mAss spectrometry
This category of instrumentation (Table VI) is probably one of the best examples of the
Table IV: Components (continued)
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
QuantIon Technologies
QuantIon Ion Source
Ion source and disposable cassette
Micro-MS Performs PaperSpray MS analysis, ambi-ent ionization method can quantitate small compounds (< 1000 Da). Requires sample volume ~10 µL. Disposable cas-sette with PaperSpray substrate within. Samples deposited onto cassette in remote locations and analyzed at a later time. Also provides sample storage and an interface with the QuantIon ion source. Applications include pharmaceuti-cal development, agricultural develop-ment, environmental analysis, and food safety.
RPMC Lasers Oxxius Single-frequency lasers
Not applicable New wavelengths are now available at 405, 532, 553, 561, 638, 658, 730, 785, and 830 nm, higher powers.
TekMark Growth Partners
Linear Variable Filters
Linear variable filters
Not applicable Long wave pass, short wave pass, band pass, and dichroic filter; wavelength ranges from 320 to 1000 nm; transmission of >92%; blocking > OD3 (OD5 or more with two filters); hard coatings enable use with high-power light sources; ideal for fluorescence imaging.
UVP, LLC Pen-Ray Light source component
Fluorescence Pen-Ray light sources, low-pressure, cold cathode lamps made of double bore quartz are available in custom configurations with user-specified lighted lengths, fills, connectors, and shields for wavelength calibration, fluorescent inspection, interferometry, as well as photometric and fluorometric instruments
Voltage Multipliers Inc.
OC100HG High-voltage opto-coupler
Not applicable High reverse voltage, high voltage isola-tion, high gain, stable long-term gain. RoHS compliant. For instrumentation systems requiring isolation from other systems; systems sensitive to ground loops.
Voltage Multipliers Inc.
XRS Portable high- voltage power
supply for X-ray tubes
XRF and XRD Programmable outputs, low right, ex-cellent load line, excellent regulation, RoHS compliant, precision outputs, por-table X-ray spectrometer power supply, monitored outputs, for powering X-ray tubes.
www.spec t roscopyonl ine .com46 Spectroscopy 27(5) May 2012
fact that, even within a single category of instrument, different design choices lead to instruments with different characteristics. The variety of different technologies to dis-tinguish ions of different masses contributes to this variety of instruments, not only be-tween companies, but even within a single company. Ionicon, for example, is provid-ing three different mass spectrometers, each oriented toward a different characteristic, one featuring high sensitivity, one featur-ing portability, and one featuring high mass resolution. On the other hand, 1st Detect is not emphasizing any one characteristic, but is providing a good mix of features at a low price. We’re also pleased to note that the Bruker Scion TQ won recognition as the silver winner of the Editor’s Choice Awards.
mid-ir (Ft-ir)
Block Engineering strikes again! Famous for their historical role in spinning off the
first company (Digilab) to provide a com-mercial Michaelson-interferometer-based FT-IR instrument, it is also the first, as of this year, to provide a commercial mid-IR spectrometer based on the use of a quan-tum cascade laser as the illumination source. I think Myron Block would be proud, but you can never be too sure what Myron is thinking! For this development, the company was awarded Honorable Mention as the Editor’s Choice Award.
Mid-IR spectrometers (Table VII), for which FT-IR is a commonly used synonym, despite the presence of two instruments right here in this review, are based on other technologies. Fourier transform spectros-copy is also used in other spectroscopic fields, but here is where it is most mature. Wavelength scales for all instruments are controlled by laser-fringe-referencing, and the noise characteristics are limited by the detector-noise characteristics of their sen-sors. Not that all instruments are the same,
by any means. Different design decisions on the part of the manufacturer still give a variety of choices for the user to make.
For example, ABB is promoting ease-of-use by dispensing with the need to deal with a continuing supply of liquid nitrogen. FTRX is doing the same by sealing the optics and thereby removing the need to purge the humidity from the optics and interferometer modules; presumably the sample chamber will still need to be purged, though.
Anasys is specializing in providing a “microspectrometer” capable of measur-ing spectra of 100 nM samples, and con-trolling the polarization. Wilks is staying out of that arena entirely, by providing an analyzer based on the use of a set of inter-ference filters.
nir
NIR reflectance spectrometers (Table VIII) are on the forefront in pursuing
Table V: Imaging products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Bruker Optics HI 90 Hyperspectral imaging FT-IR spectrometer
Emission imaging Hyperspectral image analysis, for identifi-cation and imaging of released material, leak detection, surface analysis, surface contamination, verification of decon-tamination, analysis of ship exhausts, atmospheric and environmental research, volcanology, industrial surveillance and homeland security, noncontact imaging, and wide-field imaging.
Fluid Imaging Technologies, Inc.
FlowCAM Pv-5x and FlowCAM
Pv-10x
Particle vision analyzers
Imaging Detect thousands of particles and micro-organisms in a sample in less than a min-ute and take a high-resolution, full color digital image of each one detected.
Horiba Scientific Verde Hyperspectral imaging camera
Imaging Captures all spatial and spectral information in a single image. No averaging, scanning, or switching filters required. For use with reflection, absorption, and fluorescence imaging of static and dynamic scenes.
IRCameras, LLC IRC800 Liquid nitrogen–cooled thermal
infrared cameras
Imaging Motorized cold filter wheel. Optimized AR coating and cold filters for 0.4–2.5 µm. Four-position cold filter wheel takes standard 1-in. diameter filters; 2–12 µm wavelength sensor material is available soon.
IRCameras, LLC IRC900 Closed cycle thermal infrared
cameras
Imaging High efficiency cold filters for 0.4–2.5 µm. Four-position filter wheel takes standard 1-in. diameter filters; 2–12 µm wave-length sensor material is available soon. Four times higher frame rates than other cameras (478 frames/s for 640 × 512 for-mat), higher resolution, higher sensitivity, and broader spectral range than competi-tive products, for high-speed infrared imaging, high-sensitivity thermal imag-ing, and high spatial resolution thermal imaging.
Middleton Research
imMix NIR hyperspectral imager
Reflection imaging Integral 1-qt blender for research and to avoid over- and under-blending. Includes focusing target, white reference, small sample cup, and image analysis module.
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 47
Table VI: Mass spectrometry products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
1st Detect Corp. MMS-1000 Mass spectrometer Ion trap Features a small footprint, fast analysis, wide mass range, high sensitivity, and high resolution. For process control, pharmaceuti-cal, petrochemical, and classroom analyses.
Advion Expression CMS Compact mass spectrometer
Single quadrupole Personal quadrupole mass spectrometer, compact enough to operate in fume hoods and space-restricted laboratories.
Agilent Technologies
Agilent 8800 Triple-quadrupole ICP-MS
Triple quadrupole Enables MS-MS for elemental analysis in all applications.
Bruker Corporation
Scion TQ Gas chromato-graph–mass spec-
trometer
Quadrupole mass spectrometer
Features flow-through design, axial source, lens-free design, compound-based scanning with MRM library, an EDR detector to pro-vide increased robustness, reduced tuning and system maintenance, faster method development, increased dynamic range and reduced inter-scan delay.
Ionicon Analytik GmbH
High-Sensitivity PTR-QMS 500
Proton-transfer reaction mass spectrometer
Quadrupole mass spectrometer
Detection limit <1 pptv, ultra-high sensi-tivity, and response time of 100 ms. Mea-sures with high resolution in real-time.
Ionicon Analytik GmbH
PTR-QMS 300 Proton-transfer reaction mass spectrometer
Portable mass spectrometer
Small, lightweight, easily transportable, short start-up time, and real-time VOC detection limit of <0.5 ppbv.
Ionicon Analytik GmbH
PTR-TOF 8000 Time-of-flight mass spectrometer
High-resolution mass spectrometer
Mass resolution up to 8000, response time of 100 ms, and detection limit in the single-digit pptv-range with a high resolution in real-time
Ionics Triple Quadrupole MS
GC–MS-MS Triple-quadrupole mass spectrometer
Triple-quadrupole MS
Livermore Instruments Inc.
SPAMS 3.0 Single particle aerosol mass
spectrometer 3.0
Single-particle analysis
Measures mass spectrum of many particles per second and interprets the data in real time.
nanoLiter LLC Cool Wave X Mass spectrometer with sample placement
MS, ESI, and MALDI
10× to 100× increase in sensitivity, for MALDI, SIMS, DART, and DESI
Netzsch Instruments North America, LLC
STA-GC–MS GC–MS coupled to TGA-DSC
Combined techniques
Separation of compounds in evolved gas prior to analysis with MS. TGA of TGA–GC–MS system can be equipped with automatic sample changer, for evolved gas analysis of polymers, pharmaceuti-cals, and foods.
Thermo Fisher Scientific
iCAP Q ICP-MS ICP-MS ICP and mass spectrometry
Skimmer cone insert technology is robust, featuring QCell collision cell with flatapole technology, interfer-ence removal technology, and increased throughput.
Waters Corporation
SQ Detector 2 Single-quadrupole, mass spectrometer
Mass spectrometry Wide mass range (3000 m/z), 15000 Da/s scan speed, compatible with UHPLC, HPLC, GC, preparative HPLC, and Waters UPC2, ZSpray technology. Ionization modes include ESI, APCI, ESCi, nanoFlow ESI, TRIZAIC, ASAP, APPI and APGC, DESI, DART, and LDTD.
Waters Corporation
Synapt G2-S High Definition Mass Spectrometry
Hybrid orthogonal
acceleration time-of-flight mass spectrometer
Mass spectrometry Includes StepWave ion transfer optics and Triwave ion mobility technologies, provides 30× improvement in signal intensity, 5× improvement in signal-to-noise, and 10× improvement in limits of quantitation.
Waters Corporation
Xevo TQD Tandem quadrupole mass
spectrometer
Mass spectrometry Ionization modes: ESI, APCI, ESCi, nanoFlow ESI, TRIZAIC, ASAP, APPI, and APGC. It is typically used as an UHPLC–MS-MS system.
www.spec t roscopyonl ine .com48 Spectroscopy 27(5) May 2012
small size and low-power operation. Manufacturers providing instruments that draw their power from their USB connection include B&W Tek, Inc. and JDS Uniphase. Bruker Optik provides an instrument that can run on battery power. The entire JDS Uniphase instrument, in-cluding source, optics, and detector, can be held in the palm of your hand.
Just about every manufacturer provides a unit that is portable, transportable, or handheld, although users needs to decide for themselves exactly what they consider to fall into each category. That’s the reason we ask for size and weight information. I started to count how many instruments in all categories were portable, transportable, or handheld, but I lost track; I couldn’t count that high without my computer!
rAmAn
The ongoing computer revolution con-tinues to make it’s way into the Raman instrument world (Table IX). As de-scribed in the introduction, B&W Tek has a tablet computer to interface with its spectrometers. Mustard Tree Instru-ments has a touch-driven user interface, for the noncognoscenti among us.
Miniaturization is seen here in more than one way. BioTools has a portable Raman microscope. As with NIR, just about every manufacturer provides at least one model that is portable, transportable, or handheld, although users need to decide for themselves exactly what they consider to fall into each category, that’s the reason we ask manufac-turers for the size and weight information.
soFtwAre
Except for Silk Scientific, whose soft-ware is tied to their specific hardware, software (in the sense used here) is all portable, although the meaning is somewhat different than for hardware. When referring to software, portable means that the software can be run on any computer of the correct type. All instrument manufacturers provide software for their own instruments; they have to so that users can take their data, or their results, out from the instrument. Unless it’s a USB or other standardized connection, or the instrument is completely self-contained, the hardware and the software used to read data from the instrument are gener-
Table VII: Mid-IR products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
ABB Analytical Measurements
MB-Rx In-Situ Reaction Monitor
FT-IR spectrometer with ATR probe
Fiber optics and ATR probe
Uses room-temperature DTGS detector, no consumables or maintenance re-quired. No liquid nitrogen supply needed. Provides LOD of 0.1% w/w acetone in toluene.
Anasys Instruments
nanoIR 100-nm IR spectroscopy
Polarization The accessory enables arbitrary polariza-tion control, thus enabling researchers to study molecular orientation with nanoscale spatial resolution. Used any-where the study of molecular orientation is important, for example, in fibers or oriented polymers.
Block Engineering LaserBench Mid-IR tunable QC laser benchtop
spectrometer
Mid-IR spectrometer
QC laser-based IR spectrometer provides higher optical energy for better S/N per-formance. Can be used for all standard IR applications, and for applications that were previously energy-limited.
Block Engineering LaserScan Analyzer Portable mid-IR QC laser
spectrometer
Mid-IR spectrometer
Portable with carrying handle, continu-ous or step scan tuning; pulse rate: 200 kHz, insensitive to stray light; line width: <1 cm-1, spectral resolution software selectable (1, 2, 4, and 8 cm-1); average power: 0.5–12 mW over full spectral range; vertically polarized collimated beam. Integrated MCT detector.
FTRX LLC Monolith 20 FT-IR spectrometer FT-IR Prealigned FT-IR “engine,” sealed and dessicated monolithic, modular, intrinsi-cally stable (against temperature, vibra-tion or orientation changes) interferom-eter, for stable chemometric results and optimized for quantitative applications; instrument-to-instrument reproducibility for ease of calibration transfer, suitable for use in harsh industrial environments and mobile platforms.
Wilks Enterprise, Inc.
InfraCal 2 Analyzer Fixed-filter mid-IR analyzer
ATR and transmission
Touch-screen display, internal data stor-age for up to 6000 analyses and 2000 calibrations; three user security levels to avoid tampering; two settings each for HI/LO alarms; low price. Applications: sub-ppm oil in solvent or water, multilay-er polymer film, any dedicated produc-tion, QC, and environmental or regula-tory quantitative measurement.
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 49
Table VIII: NIR products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
BaySpec, Inc. SuperGamut f/2 NIR Spectrometer
High-throughput NIR spectrometer
Transmission Applicationes include pharmaceuticals, medical diagnostics, agriculture, semicon-ductors, beverage and brewery, cosmetics, explosives detection, counterfeit detec-tion, water quality, food safety, petro-chemical, law enforcement, and pulp.
BaySpec, Inc. DeepView NIR OCT Spectral Engine
High-resolution NIR spectrometer
Optical coherence tomography
Primary benefits include long-wave NIR coverage, high throughput, and high data acquisition speed.
B&W Tek, Inc. Sol NIR spectrometer Transmission, reflection, absorp-tion, and emission
Features include 900–2550 nm, <0.35-nm resolution, up to 1024 pixels, TE cooling down to -25 °C, built-in autozero, four gain settings, and USB or RS232 interface.
Bruker Optik GmbH
Tango NIR spectrometer Transmission and reflection
Optional battery pack. Lightweight and rugged. Embedded PC with 10.5-in. touch screen display with optional external PC data system, for identifica-tion and quantification of constituents in food, feed, chemical, polymer, pharma-ceutical, beverage, feed manufacturing, dairy supplement, biotechnology, and polymer industry.
Foss NIR Systems, Inc.
XDS Masterlab Near-infrared spectrometer
Transmission and reflection
MasterLab provides dedicated NIR analy-sis for rapid nondestructive measure-ments of solid dosage forms and solids in vials, automated transmission, or reflectance analysis of multiple tablets, capsules, or vials. It ensures ease-of-use and transferability, non-destructive analysis of solids and liquids, no sample preparation, no reagents, and no waste.
AvaSpec-RS seriesthe World’s Most Configurable Microspectrometer
Avantes introduces the first truly configurable miniature spectrometer
that allows you to change your slit and connector on the go. In your
laboratory, on the road: it only takes a screw driver to continue your
measurements with a new set-up.
For more information contact us at: [email protected] | website: www.avantes.com
Booth C37
www.spec t roscopyonl ine .com50 Spectroscopy 27(5) May 2012
Table IX: Raman products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
BaySpec, Inc. MovingLab Raman microscope Raman There are a variety of microscope objec-tives, xyz stages, available with this product. Features include an on-board swivel screen, Windows-based Netbook PC, a backup lithium ion battery, no moving parts, a portable Raman micro-scope, and transfer libraries. Software is available as a separate product, 21CFR11 compliant, cGMP compliant, used in other equipment, and compatible with other manufacturers’ equipment. Applications include the identification of narcotics and drugs, explosives, and CWA, as well as hazardous materials, chemicals, pharma-ceutical QC, and gemstone authentica-tion. The product is available in 532-, 785, and 1064-nm excitation wavelengths.
BaySpec, Inc. Nomadic Raman microscope Raman Same as above.
BaySpec, Inc. RamSpec-HR-1064 Triple-quadrupole ICP-MS
Triple quadrupole Enables MS-MS for elemental analysis in all applications.
BioTools, Inc. u-BioRAMAN Portable integrat-ed micro-imaging-
Raman spectrometer
Transmission and microscopy
A portable Raman microscope, solid and liquid sampling accessory included, for structure elucidation and database of Raman spectra of proteins in solid and solution states; obtains Raman and visual microscopic images of solids.
B&W Tek, Inc. NanoRam Handheld Raman spectrometer
Raman scatter TE-cooled detector, stabilized laser, spec-tral library included, Wi-Fi, USB, wireless interface with tablet PCs, for raw mate-rial ID, at-line sampling, final inspection, and counterfeit drug detection.
DeltaNu, a business unit of Intevac Photonics
PHARMA-ID Handheld Raman analyzer
Raman scatter Pass or fail analysis, 21CFRPart 11 compli-ant, CAMO Unscrambler-X Software package, Bluetooth bar-code scanner, portable, small handheld Raman instru-ment available, for pharmaceutical identi-fication.
DeltaNu, a business unit of Intevac
DeltaNu Advantage Series
Laboratory Raman analyzer
Raman scattering High performance in a low-cost system, ideal for university teaching labs or R&D; available with 532-, 633-, 785-, and 1064-nm lasers.
Enwave Optronics, Inc.
EZRaman-H-G4 Handheld Raman analyzer
Reflection Includes bar-code scanner and tablet holder, for pharmaceutical incoming raw material ID, plastics recycling, security or forensics, and field multiple-gas analysis.
Hamamatsu Corporation
C11714CA Raman mini- spectrometer
Reflection Built-in CCD image sensor, 790–920 nm sensitivity, 0.3-nm spectral resolution, 1024 pixels, compact size (120 × 70 × 60 mm).
Table VIII: NIR products (continued)
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Foss NIR Systems, Inc.
ProFoss Compact high resolution diode array NIR spec-
trometer
Diffuse reflection and diffuse transmission
ProFoss provides nondestructive analysis of pharmaceutical and chemical prod-ucts directly in the process line without bypass. The solution helps to optimize the use of raw materials and to consis-tently run production closer to target specifications.
JDS Uniphase MicroNIR1700 and MicroNIR2200
Micro-NIR spectrometer
Transmission, reflection, and transflection
Palm-sized, USB powered, includes source, optics, diode array, electronics, capable of ID, quantitative analysis in food, pharmaceuticals, and other ap-plications.
Ocean Optics NIRQuest512-1.9 Spectrometer
NIR spectrometer Absorbance, transmission,
reflection, and emission in NIR
Dark noise 6 RMS counts at 100 ns, wide dynamic range (10K:1 for a single acquisi-tion), external triggering functions, very low jitter (100 ns) triggering functions.
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 51
Table IX: Raman products (continued)
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Horiba Scientific – OEM Division
Mini-CCT+ Miniature Raman spectrometer
Raman emission Unmatched 7000:1 dynamic range back-illuminated CCD for high-end OEM ap-plications, SMA fiber-optic coupling, and USB-2 high speed interface.
Mustard Tree Instruments
VerifierR Process System 1000
Raman spectrometer
Raman scattering Environmentally hardened, rated for IP67 and NEMA 6, methods may be transferred to other instruments, user customizable interface, and touch-driven user interface.
Real-Time Analyzers
SERS-Lab 785 Dispersive 785-nm Raman spectrometer
Raman scattering High-performance dispersive 785-nm spec-trometer. Automated sampling for multiple samples or for mapping, sol-gel based SERS coatings on the following substrates: 2-mL vials, capillaries, 96-well microplates.
Renishaw plc RA800-series OEM benchtop Raman
spectrometers
Backscattered Raman
Enables OEM to offer their customers research-grade Raman microscopy perfor-mance in a Class 1 laser, safe and simple to use system. For routine use in laborato-ries, QA–QC, and at-line. Can be provided in a range of configurations, with differ-ent excitation wavelength, spectral cover-age, sample handling, and software.
Rigaku Raman Technologies
Xantus-2 Dual wavelength Handheld Raman
analyzer
Raman scattering Dual-wavelength handheld Raman analyzer that is portable, battery powered, and features an open spectral library and two analyzers in one box.
Thermo Fisher Scientific
TruNarc Handheld Raman analyzer
Raman scattering Lightweight handheld analyzer; library can be updated to include new threats, includes Reachback feature, enabling user to reach a spectroscopist 24/7, 365 days a year for advanced questions.
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Astrospectroscopy
Atomic Spectroscopy
Bioanalytical Analysis
Chemometrics
Forensics
Green Chemistry
LIBS
Mass Spectrometry
Nanotechnology
Pharmaceuticals
Raman Spectroscopy
Surface Plasmon Resonance
Vibrational Spectroscopy
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www.spec t roscopyonl ine .com52 Spectroscopy 27(5) May 2012
Table X: Software products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Advanced Chemistry Development, Inc.
ACD/Spectrus Workbooks
Portfolio of software tools
Not applicable Works with multiple techniques (NMR, LC–UV–MS, IR, Raman, and more) in one application. Use powerful algorithms to analyze data, store, retain, reuse, and share specialist knowledge; store spectra together with relevant structures and other data.
Advanced Chemistry Development, Inc.
Coblentz Society Spectral Library
Collection of infrared spectra
Not applicable Contains more than 9500 reviewed IR spectra, supports most IR instrument ven-dor data formats. Spectra can be stored together with relevant structures, and other relevant information.
Bio-Rad Laboratories
KnowItAll Informatics
System, Version 9.0
Informatics system IR, NMR, MS, Raman, NIR,
UV–vis and chro-matography data
Provides software and reference data for all analytical techniques and can com-bine data from different techniques for analysis.
BioTools, Inc. ComputeVOA Computational software
IR, VCD, Raman, and ROA
Calculates spectra for structural analysis and combines three sets of software into one package.
Edax Team Pegasus Component software
Not applicable Smart features to optimize setup, data col-lection, and measure data quality. Works with EDS and EBSD detectors; features include EBSD for novice users; confidence index, dynamic maps, full integration, time machine, and smart camera.
Eigenvecter Research Inc.
PLS Toolbox Advanced chemometrics soft-ware for use with
MATLAB
Data processing, calibration and
visualization
Combines GUI with command-line capability for user to access advanced preconfigured routines as well as custom-designed algorithms.
Eigenvecter Research Inc.
Solo Stand-alone chemometrics
software
Same capabilities as PLS Toolbox, in a stand-alone software suite
Point-and-click user interfaces. Multi-variate image analysis and EMSC. Ability to export models for implementation elsewhere.
Eigenvecter Research Inc.
MIA Toolbox Multivariate image analysis for PLS
Toolbox and Solo
Multivariate image analysis and EMSC
Point-and-click user interface. Advanced pattern recognition.
Eigenvecter Research Inc.
Solo Predictor Prediction engine for PLS Toolbox and Solo models
Apply mdels from PCA, PARAFAC, SIMCA, PLS-DA,
PLS, and CLS
Apply PLS Toolbox and Solo results with-out needing the full package.
Eigenvecter Research Inc.
Model Exporter Export PLS Toolbox and Solo models
Export Models and Results to MAT-
LAB, Octave, TCL, Symbion
Fast deployment of chemometrics results using easy-to-follow scripts for quick de-velopment of stand alone applications.
Fiveash Data Management, Inc.
NP* Not applicable Not applicable Raman spectral libraries and IR–ATR spec-tral libraries
Hitachi High Technologies America, Inc.
FL Solutions 4.1 Fluorescence software
Raman and fluorescence
Photometry mode supports accessories for biology, pharmaceutical, environmen-tal, and materials research.
Horiba Scientific LabSpec 6 Raman software suite
Raman Newly designed interface with an intuitive data browser. Fully integrated multivariate analysis module, increased ultrafast “on the fly” data processing, and customizable report generation tool.
Operant LLC Essential FTIR Software for molecular
spectroscopy
NIR, IR, and Raman Data import, export, and conversion between formats. Software includes quantitative and qualitative analysis, data manipulations, corrections and analysis, library search, smoothing, baseline correc-tion, peak picking, and integration.
Silk Scientific, Inc. UN-SCAN-IT Graph digitizing software
All methods Converts hard-copy graphs and spectra to digital (x,y) data.
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 53
ally proprietary. In this review, therefore, software (Table X) means two things. The first meaning is Òthird-party soft-ware,Ó software written not necessarily by an instrument manufacturer and thus not tied to a particular instrument;
such software can perform data process-ing or other functions to extend the ca-pabilities of the overall system beyond what the manufacturer has included in the instrument itself. Eigenvector and Symbion are premier examples of com-
panies providing program packages. Most of the companies listed here pro-vide software packages of this nature.
The second meaning of software, as used here, covers compilations of spec-tral data. ACD, for example, provides
Table X: Software products (continued)
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Symbion Systems, Inc.
SII-TFTD01 TruProcess Driver
Software driver for process analysis
Near-IR analyzers Thermo Scientific TruProcess near-IR ana-lyzers to be operated using the Symbion-DX or RX Process Analytical Software Suites, for on-line chemical composition monitoring, drying, and blending. En-ables data collection, control, chemomet-ric execution, trending, and reporting.
Symbion Systems, Inc.
Symbion-EX Instrumentation software for
laboratory, on-line chemical
composition monitoring
Not applicable This product reportedly provides rapid and continuous monitoring of chemical processes, configuration, and control of all aspects of a process analytical system. Software is available as a separate product, 21CFR11 compliant, and may be used in other equipment. The software is compat-ible with other manufacturers’ equipment. According to the company, this is an eco-nomical software package for the on-line deployment of methods developed using the Symbion-DX or RX Process Analytical Software Suites. Features include control, data collection, chemometric execution, trending, and reporting of process systems.
Thermo Fisher Scientific
GRAMS Spectros-copy Software Suite (GRAMS, GRAMS IQ, and
GRAMS Convert)
Data capture, process, report,
and manage data
Chemometric software
Seven 32- and 64-bit compatible, avail-able electronically. Accepts data from more than 180 types of instruments, con-verts to common format, and performs chemometric analysis.
*NP = information not provided by the company.
Table XI: Other spectroscopy products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Excellims Corporation
AIMS2100 ESI-HPIMS
Ion mobility spec-trometer
Mass spectrometry Mobility and mass data are generated on the same sample or LC peak for com-pound identification in drug discovery and development processes, reaction monitoring, content uniformity, purity checking, and cleaning verification.
Excellims Corporation
GA2100 High-performance ion mobility spec-
trometer
Mass spectrometry Direct electrospray ionization interfaces typical autosampler systems with the ESI source combine electrospray with IMS.
Horiba Scientific Microvolume Accessory
For spectro- fluorometers
Fluorescence Cuvette adapter for 1 μL of sample. Easy to clean, resistant to carryover.
Horiba Scientific Fluorolog Extreme and Fluorcube
Extreme
Fluorometer with supercontinuum
source
Fluorescence Variable excitation wavelength from vis-ible to over 2 µm
JASCO HDX-High-Throughput CD Measurement
System
Circular dichroism spectrometer
Circular dichroism, absorbance,
and fluorescence
Fully automated measurements from 192 microplate wells for screening, quality control, secondary structure analysis, thermal denaturation, and protein struc-tural characterization for transdermal drug delivery, permeation kinetics, diffu-sion kinetics, and concentration gradient studies.
picoSpin, LLC (Cole-Parmer is the international distributer)
picoSpin 45 Miniature bench-top NMR
spectrometer
NMR Miniaturized NMR spectrometer, used for education, reaction analysis, and analyzing oxygen- or moisture-sensitive chemistries inside a glove box.
www.spec t roscopyonl ine .com54 Spectroscopy 27(5) May 2012
Table XIII: UV-visible and X-ray products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Applied Rigaku Technologies, Inc.
NEX QC VS Benchtop EDXRF spectrometer
X-ray fluorescence Low cost, small spot, for jewelry and metals analysis, RoHS rapid screening of plastics, general quality control applications.
Applied Rigaku Technologies, Inc.
MiniFlex X-ray diffraction Reflection Low cost-of-ownership, 110-V power requirement, no external cooling, sample changer, for phase identification, quanti-tative analysis of polycrystalline phases.
Avantes AvaSpec-RS series UV–vis–NIR spectrometer
Transmission and reflection
The rechangeable slit allows you to adapt the spectrometer on you changing needs; higher throughput or higher resolution.
HORIBA Scientific – OEM Division
VS-7000+ Mini CCD spectrometer
Emission, fluorescence and
absorbance
High throughput (f/2.8); ultralow stray light from UV to NIR; new tall back-illuminated CCD semiconductor for medical, biotech-nology OEM applications, and industrial low-light applications such as fluorescence, emission, absorbance, and reflectance.
Ibsen Photonics FREEDOM OEM module for UV–vis and NIR
UV–vis and NIR Combines small size, thermal stability with high resolution, robustness, and flexibility in detector system choice.
Laxco, Inc. Alpha spectro- photometers
UV–vis spectrometers
Transmission, re-flection, and ATR
All standard applications, depending on accessories available
Laxco, Inc. DSM Cell density meter Transmission Cell density measurement
Lovibond North America
PFXi Color measurement
spectro- colorimeter
Transmission (liquids)
Spectrocolorimeter for precise color mea-surement of transparent liquids. Provides results as per standard color scales such as ASTM Color, Pt-Co/Hazen/APHA, Gardner, Saybolt, AOCS, USP, and many others. Features include a 6-in. sample cell, cell chamber easily cleanable, heated sample cell, “RCMSi” remote calibration, Windows compatible software, optical glass cells for color scales, flow-through cells, confor-mance filters, and liquid standards.
MecaSYS Co., Ltd. OPTIZEN α Double-beam UV–vis
spectrometer
Transmission Operating system based on Android, on-line connection through Wi-Fi, Bluetooth connection to connect with Android based tablet PC. Direct e-mail push through Wi-Fi. 10.1-in. full-color touch screen, three detectors (two photodiode sensors and one CCD array sensor).
Moxtek, Inc. 50 kV OptiMAG Monoblock
Monoblock X-ray source
Not applicable Small, stable focal spot, high X-ray output, low power consumption, low spectral contamination, low detection limits, easy to integrate, long battery life; for materials characterization and identification, X-ray imaging: medical R&D, small animal imaging, security, and radiographic inspection.
Table XII: Terahertz products
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Advantest Corporation
TAS7500 Terahertz (THz) spectroscopy and imaging analysis
system
Terahertz imaging Entirely new product, consisting of two models, spectroscopic and imaging, de-signed specifically for pharmaceutical analy-sis, providing rapid, nondestructive imaging and analysis of pharmaceutical samples in liquid or solid state for 2D or 3D analysis of polymorphic crystalline structures, tablet coatings, and tablet densities.
Applied Research & Photonics
Terahertz scaning reflectometer
Terahertz spectrometer
Reflection Measure permeation kinetics and diffu-sion concentration gradient (in situ) for measurement of transdermal drug deliv-ery, and permeation kinetics of analytes into tissue or other substrates.
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Table XIII: UV–visible and X-ray products (continued)
Company Name Product Name Product Type Measurement Mode Applications, Features, or Benefits
Nippon Instru-ments Corporation
Model RA-4500 Automated mercury analyzer
Atomic absorption Mercury analysis by EPA Methods 245.1, SW-846 7470, and SW-846 7471.
Ocean Optics Maya2000 Pro–vis–NIR spectrometer
Absorbance, transmission,
reflection, emission, and fluorescence
Triggering functions for accurate timing and synchronization. Couples via SMA 905 connector to fiber-optic light sources and accessories, good for low light-level applications, Raman, analysis of gases used in semiconductor processing, and biological samples in the life sciences.
Ocean Optics QE65 UV–vis–NIR spectrometer
Absorbance, transmission,
reflection, and emission
Multiple grating options; new mirrors to optimize reflectivity, new optical bench mirrors.
Shanghai Mapada Instruments Co., Ltd.
NP* UV–vis–NIR spectrometers
NP* Mapada provides a series of UV–vis spec-trometers with a variety of wavelength ranges (within the range 190–1100 nm), sources, optical configurations (single versus double beam), and spectral resolu-tions, along with common accessories.
Shimadzu UV-2600 Spectro-
photometer
UV–vis spectroscopy
Transmission and reflection
Applications inlcude pharmaceuticals, chemicals, environmental, photovoltaics, films, electronics, optics, and cosmetics.
Shimadzu UV-2700 Spectro-
photometer
UV–vis spectroscopy
Transmission and reflection
Double monochromator gives low stray light for life sciences, cosmetics, medi-cines, electronics, environment (water), foods, and films or thin films applications Validation software supports GLP/GMP, USP, EP, and JP test requirements.
Spectraline, Inc. Spectraline VS 100 Ultrafast UV–vis spectrometer
Emission 2D scanner provides full hyperspectral imaging — Spectra obtained at 20 kHz (50 µs), for research into explosions and other ultrafast phenomena.
tec5USA MultiSpecEthernet UV–vis–NIR spectrometer
Transmission, reflection, and ATR
Multichannel capability, permanent wavelength calibration, sampling rate of up to 1000 spectra/s for dissolution, gen-eral concentration, reflection, transmis-sion, thin films, and fluorescence.
Thermo Fisher Scientific
NanoDrop Lite UV–vis spectrophotom-
eter
Absorbance Microvolume (1–2 µL) spectrophotometer, patented sample retention system (no cu-vette needed), very compact instrument.
* NP= information not provided by the company.
Cells
fMicro Volume Analysis
Fiber Optical Systems
Calibration Standards
Micro Flow Channels
Precision is not a matter of opinion, but the result of leaving not even the
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hellma-analytics.com/traycell
www.spec t roscopyonl ine .com56 Spectroscopy 27(5) May 2012
the Coblentz Society’s collection of spectral data. Bio-Rad provides both spectral data compilations and data-processing software.
spectroscopy (other)
This category (Table XI) contains, as the title implies, a hodgepodge of instruments that didn’t quite seem to fit in elsewhere, or, per-haps, were the only examples of their type.
Miniaturization is seen in this cate-gory, also. PicoSpin has devised an NMR instrument small enough to be inserted into a glovebox. These things are all relative, of course; it’s not that long ago
that instruments for optical spectros-copy that size were considered “state of the (miniaturization) art,” too. Another item that is shrinking is the sample size; Horiba can measure fluorescence spec-tra on samples of 1 μL (1 mm3).
terAhertz
Terahertz imaging (Table XII) is becoming a standard product outside the realm of analytical chemistry, with the now wide-spread use of the technique for monitoring people in airports. Indeed, because both products listed here are imaging devices, I debated whether I should include them in
the imaging section. However, as I men-tioned elsewhere, my decisions are some-what idiosyncratic (and therefore unex-plainable, even to myself sometimes), but I felt that since there were two devices, they deserved a section of their own (if there has only been one, it would have been placed in the “Spectroscopy (Other)” section).
UV–Visible And x-rAy
Now, here’s something of inter-est that’s not related to small size or low-power instrumentation: Avantes (Table XIII) has a changeable slit. With grating instruments, an inherent
Abbreviations Used in this Article
AA Atomic absorption
AES Atomic emission spectroscopy
APCI Atmospheric-pressure chemical ionization
APPI Atmospheric-pressure photoionization
ASAP Atmospheric solids analysis probe
ATR Attenuated total reflectance
CCD Charge-coupled device
cGMP Current good manufacturing practices
CLS Classical least squares
COA Certificate of analysis
CWA Chemical warfare agents
DART Direct analysis in real time
DESI Desorption electrospray ionization
DTGS Deuterated triglycine sulfate
EBSD Electron backscatter diffraction
EDR Extended dynamic range
EDXRF Energy dispersive X-ray fluorescence
EMSC Extended multiplicative scatter correction
EP European pharmacopeia
ESCI Combined electrospray ionization and atmo- spheric-pressure chemical ionization (Waters)
ESI Electrospray ionization
GC Gas chromatography
GLP-GMP Good laboratory practices–good manufacturing practices
GUI Graphical user interface
HPLC High performance liquid chromatography
ICCD Intensified charge-coupled device
ICP Inductively coupled plasma
IR Infrared
JP Japanese pharmacopeia
LDTD Laser diode thermal desorption
LOD Limit of detection
LW IR Long-wave infrared
MALDI Matrix-assisted laser desorption–ionization
MATLAB Matrix laboratory (MathWorks)
MCT Mercury cadmium telluride
MEMS Microelectromechanical systems
MRM Multiple reaction monitoring
NEMA National Electrical Manufacturers Association
NIR Near infrared
NMR Nuclear magnetic resonance
OEM Original equipment manufacturer
OES Optical emission spectroscopy
PARAFAC Parallel factor analysis
PCA Principal component analysis
PLS Partial least squares
PLS-DA Partial least squares discriminant analysis
RMS Root mean square
S/N Signal-to-noise ratio
SEM Scanning electron microscopy
SERS Surface-enhanced Raman spectroscopy
SFC Supercritical fluid chromatography
SFE Supercritical fluid extraction
SIMCA Soft independent modeling of class analogies
SIMS Secondary ion mass spectrometry
SMA Sub miniature A
TGA Thermogravimetric analysis
THz Terahertz
TOC Total organic carbon
TTL Transistor–transistor logic
UHPLC Ultrahigh-pressure liquid chromatography
USB Universal serial bus
USP United States Pharmacopeia
VOC Volatile organic compound
VUV Vacuum ultraviolet
XRD X-ray diffraction
XRF X-ray fluorescence
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property of the optical system is that the narrower the slit, the smaller the wavelength range that will pass through it (everything else in the optics being optimized, of course); this gives better spectral resolution. That improvement comes at the cost of energy coming through the slit, since narrower slits keep out more photons than wide slits, thus reducing the signal-to-noise performance of the instru-ment. Five decades ago this was standard knowledge and instruments were designed to have adjustable-width slits, so that users could set the slit width for a particular sample and measurement conditions of concern. Spectroscopists can trade off one characteristic for the other to optimize results, a time-tested way of running an instrument. For many reasons, such as simplicity of operation (particularly by unskilled operators), reduced manufacturing costs, and finally the advent of Fourier transform methods wherein the slit disappeared entirely, the adjustable slit all but vanished, especially in the smaller spectrometers, where matching the slit to an optical fiber was paramount. So, with Avantes reintroducing the adjustable slit, we come back to giving spectroscopists more control over the in-strument than has been the case for a long time. Welcome back, slit!
Of course, that’s not the only way to improve signal-to-noise ratios. Horiba is doing that with high-speed optical design. In the context of optics, high-speed means how large a solid angle the light impinges on the detector, with higher “speed” generally giving more signal, everything else being the same.
Shimadzu isn’t necessarily going for the best signal-to-noise ratio, but is improving results by minimizing stray light with a double monochromator, another time-tested, albeit expensive, ap-proach. Tec5USA, on the other hand, is going for speed, rather than increasing signal-to-noise ratio. Good for getting spectra of dy-namic processes.
Appendixes AVAilAble online
Additional product details appear online in the appendixes, at www.spectroscopyonline.com/Pittcon2012:
Appendix I: AccessoriesAppendix II : Atomic spectroscopyAppendix III: ComponentsAppendix IV: ImagingAppendix V: Mass spectrometryAppendix VI: Mid-IR (FT-IR)Appendix VII: NIRAppendix VIII: RamanAppendix IX: SoftwareAppendix X: Spectroscopy (other)Appendix XI: TerahertzAppendix XII: UV–visible
Howard Mark serves on the Editorial Advisory Board
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Electronics (Suffern, New York). He can be reached at
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www.spec t roscopyonl ine .com60 Spectroscopy 27(5) May 2012
PRODUCT RESOURCES FT-IR microscopeThe Lumos stand-alone FT-IR microscope from Bruker Optics is designed for visible inspection and infrared spectral analysis. Accord-ing to the company, all internal moveable components are motor-ized and the instrument’s software guides operate stepwise through the process of data acquisition. Bruker Optics, Billerica, MA; www.brukeroptics.com/lumos.html
Raman microscopy reaction chamberHarrick’s Flat-Top high-temperature reaction chamber for Raman micro-spectroscopy is designed with a single horizontal window and a low profile for compatibility with Raman instrumentation. According to the company, the chamber allows envi-ronments with temperatures up to 910 °C, with pressures ranging from 10 -6 to 2200 Torr. Harrick Scientific Products, Pleasantville, NY;www.harricksci.com
Raman spectral searching softwareThe KnowItAll Informatics System software package from Bio-Rad Laboratories will be offered for use with the Horiba Scientific Raman spectrometers, via Horiba’s LabSpec data acquisition processing software. According to the company, the soft-ware’s functionality includes spectral searching, mixture analysis, database creation, and the AnalyzeIt spectrum/structure correlation feature. Horiba Scientific,Edison, NJ;www.horiba.com/scientific
X-ray windowsDuraBeryllium X-ray windows from Moxtek are designed to be resistant to many sol-vents, acids, and bases. The company’s DuraBeryllium Plus film reportedly provides maximum corrosion resis-tance. According to the com-pany, the product is a low-Z material that when applied to beryllium creates a hermetic, corrosion-resistant window that is used for ultrahigh-vacuum applications. Moxtek, Orem, UT; www.moxtek.com
ICP valve systemGlass Expansion’s Assist automation accessory report-edly combines a dual syringe module with a multiport valve module to automate sample and internal standard (or dilu-ent) introduction to an ICP-OES or MS system. According to the company, when used with the instrument’s standard autosampler, the accessory speeds the cycle time by a factor of two or more. Glass Expansion Inc., Pocasset, MA; www.geicp.com
Low-light cameraAndor’s Zyla sCMOS camera is designed to provide high speed, high sensitivity imaging. According to the company, the TE-cooled instrument has sus-tained frame rate performance of up to 100 fps. A 30-fps version, which reportedly has 1.3 e- rms read noise, also is available. Andor Technology, South Windsor, CT; www.andor.com
LEDs for spectroscopyFull spectrum light-emitting diodes for spectroscopy from Mightex reportedly have a lifetime of >25,000 h, a tailor-able output spectrum, and an interchangeable fiber. Accord-ing to the company, the out-put spectrum does not change with intensity adjustment. Mightex Systems, Pleasanton, CA; www.mightex.com
Hyperspectral imagerBodkin Design & Engineering’s VNIR-90 hyperspectral imager is designed with an optical proces-sor and can be mounted on a moving platform, handheld, or used to capture transient events or moving objects. According to the company, the imager covers the spectral range of 500–910 nm and produces a data cube of 55 x 44 spatial pixels x 90 spectral bins.Bodkin Design & Engineering, LLC, Newton, MA; www.bodkindesign.com
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 61
Raman microscopeRenishaw’s inVia Raman microscope is designed with a 3D imaging capability that allows users to collect and display Raman data from within transparent materials. According to the company, the instrument’s Stream-LineHR feature collects data from a series of planes within materials, processes it, and displays it as 3D volume images representing quantities such as band intensity. Renishaw, Hoffman Estates, IL;www.renishaw.com/raman
Raman spectroscopy systemsThermo Scientific’s Crimefighter packages are equipped with the company’s DXR Raman microscope or DXR SmartRaman spectrometer and are designed to facilitate positive identification of trace compounds, illicit drugs, chemical intermediates, and other highly sensitive evidence. According to the company, the packages include a compre-hensive library of compounds encountered in law enforcement available for laboratory Raman systems. Thermo Fisher Scientific, Madison, WI; www.thermofisher.com
MicrospectrometerThe Avabench-RS miniature spectom-eter from Avantes is designed for flexibility and configurability. The spectrometer’s slit and connector reportedly can be changed using a screwdriver. Accord-ing to the company, the instrument’s optical bench is available in all UV–vis–NIR AvaSpec spectrometers. Avantes, Broomfield, CO; www.avantes.com
Hyperspectral imaging systemThe HI 90 hyperspectral imaging system from Bruker Optics is designed as a remote chemical sensing system that permits detection, identification, and quantification of hazardous gas clouds. According to the company, the system allows remote operation several kilometers from the area of interest. Bruker Optics, Billerica, MA;www.brukeroptics.com
EDXRF spectrometerThe benchtop NEX QC VS energy dispersive X-ray fluorescence spec-trometer from Rigaku is designed to provide a variable analysis spot size. According to the company, the analyzer features a single-position sample stage with three analysis spot size options: 3, 8, and 14 mm. The analyzer reportedly can be used for quantitative analysis of elements ranging from sodium to uranium in solids, liquids, and powders. Rigaku Corporation, The Woodlands, TX; www.rigaku.com
Chemical reaction monitorThe MB-Rx in-situ chemical reaction monitor from ABB Analytical Measurements is designed for use in laboratories and pilot plants. According to the company, the monitor is a plug-and-play system that provides real-time information about chemical or biochemical reaction kinetics and parameters. Data reportedly are collected with an insertion probe and can be analyzed via a software interface. ABB Analytical Measurements, Quebec, Canada; www.abb.com/analytical
XRF kitAmptek’s XRF Kit is designed to help users begin performing elemental analysis via X-ray fluorescence. According to the company, the kit includes the company’s X-123 complete spectrometer with an SDD or Si-PIN detector; a mini-X USB controlled X-ray tube; XRF-FP QA software; a mounting plate; and a test sample. Amptek Inc., Bedford, MA;www.amptek.com
Calibration standardsHellmaUSA, a calibration laboratory that produces and certifies liquid and gas calibration filters for testing spectrophotometers, was accredited according to DIN EN ISO 17025. According to the company, the DIN EN ISO 17025 ensures the traceability of calibrations to references of the National Institute of Stan-dards and Technology, which gives laboratories greater transparency and improved protection over measurement results. HellmaUSA, Plainview, NY; www.hellmausa.com
www.spec t roscopyonl ine .com62 Spectroscopy 27(5) May 2012
Raman analyzerThe ASSUR handheld Raman analyzer for raw material verification from Enwave Optronics is designed to be fully 21 CFR Part 11 compliant for GMP requirements. According to the company, it is suitable for the analysis of pharmaceutical compounds and industrial chemicals and for applications requiring high-speed Raman analysis. Enwave Optronics, Inc., Irvine, CA; www.enwaveopt.com
Photovoltaic measurement systemNewport Corporation’s Oriel IQE-200 photovoltaic cell measurement system is designed for simultaneous measurement of the external and internal quantum efficiency of solar cells, detectors, and other photon-to-charge converting devices. The system reportedly splits the beam to allow for concurrent measure-ments. The system includes a light source, a monochromator, and related electronics and software. According to the company, the system can be used for the measurement of silicon-based cells, amorphous and mono/poly crystalline, thin-film cells, copper indium gallium diselenide, and cadmium telluride. Newport Corporation, Irvine, CA; www.newport.com
Wine standardsCertified reference materials for trace metals analysis in a natural wine matrix are available from Spex CertiPrep. The company is reportedly accredited by UL DQS for ISO 9001 and accredited by A2LA for ISO 17025 and ISO Guide 34. Spex CertiPrep, Metuchen, NJ; www.spexcertiprep.com
UV–vis spectrophotometersUV–vis spectrophotometers from Shimadzu Scientific Instruments are designed for routine analysis and research applications. The double-monochromator UV-2700 system reportedly achieves stray light levels of 0.00005% T at 220 nm, a photometric performance range of 8 Abs, and a transmittance value of 0.000001%, which enables the measurement of low-transmittance samples. According to the company, the single-monochromator UV-2600 system features a measurement wavelength range to 1400 nm, which allows measurements in the near-infrared region and analysis of photovol-taics and other materials. Shimadzu Scientific Instruments Inc., Columbia, MD; www.ssi.shimadzu.com
ICP-MS systemPerkinElmer’s NexION 300 ICP-MS system is designed to provide the benefits of a collision cell and the detection limits of a true reaction cell. According to the company, the instrument can be run in three different modes: standard, collision, and reaction. A scanning quadrupole reportedly removes targeted interferences and reaction products in the universal cell. PerkinElmer, Waltham, MA; www.perkinelmer.com
Spark atomic emission spectrometerThe OBLF GS 1000-II spark atomic emission spectrometer from PANalyti-cal includes a spark stand design that incorporates two counter electrodes. The design reportedly reduces total analysis time versus single-electrode spectrometers. According to the company, the instrument is capable of performing a two-measurement analysis of ferrous samples in 25 s. Samples requiring only standard car-bon analysis and no nitrogen report-edly have an analysis time of 15 s. PANalytical, Westborough, MA; www.panalytical.com/OES
Cyanide analysis guideOI Analytical’s 20-page Cyanide Analysis Guide contains information on cyanide analysis, analytical interferences, ASTM, and US EPA cyanide testing methods, reference publications, and website links. OI Analytical, College Station, TX. www.oianalytical.com
Raman softwareLabSpec 6 Raman soft-ware from Horiba Scien-tific is designed to guide researchers through sys-tem setup, Raman spec-trum data and map acquisition, measurement and data processing, and report generation. The software reportedly offers comprehen-sive data acquisition, processing, and display functionalities for the company’s Raman, cathodoluminescence, and photoluminescence spectrometers. According to the company, the software also includes an integrated multivariate analysis module for character-ization of complex datasets and on-the-fly data processing. Horiba Scientific, Edison, NJ; www.horiba.com
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 63
Ruling enginesOptometrics reportedly has upgraded its three ruling engines. According to the com-pany, its premier ruling engine has been outfitted with interfer-ometric, thermal, and electronic control systems and is driven through a computer-controlled operation, allowing for ghost-free UV–vis rulings and custom rulings at wavelengths ranging from UV to far IR. Optometrics, Ayer, MA; www.optometrics.com
Infrared filtersInfrared filters from CVI Melles Griot are manufactured using a sputter coating process and are designed for durability and environmental resistance. According to the company, the filters are optimized for peak transmission and blocking. The filters can be used for applications such as gas analyzers, nondispersive, or Fourier transform instruments, spectrometers, and biomedical devices. CVI Melles Griot, Albuquerque, NM; www.cvimellesgriot.com
Vis–NIR spectrometerThe Maya2000 Pro-Vis-NIR system from Ocean Optics is designed as a back-thinned 2D FFT-CCD spectrometer with 80% peak quantum efficiency. According to the company, the device has a low-etalon, scientific-grade detector that provides high quantum efficiency from ~400 nm to 1100 nm. Ocean Optics, Dunedin, FL; www.oceanoptics.com
Variable-pathlength FT-IR cellInternational Crystal’s heated variable-pathlength cell is designed with the ability to be heated to 200 °C and comes with a programmable temperature controller with a RS-232 serial cable computer interface. According to the company, the cell back plate is water-cooled, and the body and vernier scale adjustment on the front of the cell are insulated to enable in situ variation of the pathlength while the cell is situated in the sample compartment of an FT-IR spectrophotometer. International Crystal Laboratories, Garfield, NJ; www.internationalcrystal.net
Fiber-optic Raman probesFiberTech Optica’s compact fiber-optic Raman probes are designed to provide enhanced throughput and collected Raman signal quality. According to the company, design features include high collection efficiency (f/2) optics, internal filtering, about 4 mm working distance, and assembly with no moving parts. FiberTech Optica, Kitchener, Ontario, Canada;www.fibertech-optica.com
Spectra libraryFiveash Data Management’s FDM Raman Organics is a library of 500 Raman spectra of model organic compounds. According to the company, the spectra in the library were run in-focus on a 6-cm -1, white-light-corrected spectrometer with a 780-nm laser, SNR of 500, and a range of 200–3200 cm -1. The library reportedly is available in most spectral library formats. Fiveash Data Management, Madison, WI; www.fdmspectra.com
IR gas cellThe 2.4 m IR gas cell from PIKE is designed with a metal body (nickel-coated aluminum), diamond-turned optics, and tool-less assembly and disassembly. According to the company, features include small volume and a heated 200 °C option for analysis of samples containing low-boiling-point components and water vapor. PIKE Technologies, Madison, WI; www.piketech.com
SpectrometerStellarNet’s Black-Comet-HR concave grating spectrometer is designed for high-resolu-tion applications. According to the company, the system is available for measurements in two ranges, UV (200–600 nm) and visible (380–750 nm), and can achieve resolv-ing resolutions of 0.4 nm. The system reportedly is USB-2 powered, shock-proof, and vibration tolerant with no moving parts StellarNet, Tampa, FL; www.stellarnet-inc.com
www.spec t roscopyonl ine .com64 Spectroscopy 27(5) May 2012
Calendar of EventsMay
20–24 60th ASMS Conference on
Mass Spectrometry
Vancouver, British Columbia, Canada
www.asms.org/
26–30 CSC 2012 — 95th Canadian
Chemistry Conference and Exhibition
Calgary, Alberta, Canada
www.csc2012.ca/
31–2 June ACS Middle Atlantic Regional
Meeting (MARM 2012)
Baltimore, MD
www.marmacs.org/2012
June
3–8 Gordon Research Conference on
Multiphoton Processes: Attoseconds,
Intense Fields, and Ultrafast Imaging
South Hadley, MA
grc.org/programs.aspx?year=2012
&program=multiphot
10–13 Chirality 2012: 24th International
Symposium on Chiral Discrimination
Fort Worth, TX
www.chirality2012.com
11–13 Xth International Conference
on Raman Spectroscopy Applied to the
Earth and Planetary Sciences (Geo
Raman 2012)
Nancy, France
georaman10.uhp-nancy.fr/
11–15 Mössbauer Spectroscopy in
Materials Science (MSMS)
Olomouc, Czech Republic
www.msms2012.upol.cz/home
18–21 BIO International Convention
Boston, MA
www.convention.bio.org/
July
1–5 Euromar 2012
Dublin, Ireland
euromar2012.org/
15–18 Science at FELs
Hamburg, Germany
www.laserlab-europe.eu/events-1/
conferences/conference-calendar/
15-18-july-2012-science-at-fels-desy-
hamburg-germany
29–2 August Microscopy & Microanalysis
2012 Meeting (M&M 2012)
Phoenix, AZ
microscopy.org/mandm/2012/
August
5–10 Gordon Research Conference on
Vibrational Spectroscopy
Biddeford, ME
www.grc.org/programs
aspx?year=2012&program=vibrspec
6–10 61st Annual Conference on
Applications of X-ray Analysis — The
Denver X-ray Conference
Denver, CO
www.dxcicdd.com/
12–16 2012 SPIE Optics & Photonics
San Diego, CA
spie.org/optics-photonics.xml
12–17 23rd International Conference on
Raman Spectroscopy
Bangalore, India
www.icors2012.org
19–23 244th ACS National Meeting
& Exposition
Philadelphia, PA
www.acs.org/meetings
26–31 31st European Congress on
Molecular Spectroscopy
Cluj-Napoca, Romania
www.phys.ubbcluj.ro/eucmos2012/
27–30 12th International Nutritional and
Diagnostics Conference 2012 (INDC 2012
Prague, Czech Republic
www.indc.cz/en/
September
2–5 ISCRE 22–22nd International
Symposium on Chemical Reaction
Engineering
Maastricht, Netherlands
www.iscre22.com/
6–9 SFRR 2012 Biennial Meeting of the
Society for Free Radical Research
London, UK
www.sfrrimeeting.org/
9–13 11th International Bologna
Conference on Magnetic Resonance in
Porous Media
University of Surrey, Guildford, UK
ocs.som.surrey.ac.uk/index.php/mrpm11/
mrpm11/schedConf/overview/
October
15–19 22nd Annual Quality Assurance
Conference
Dallas, TX
www.epa.gov/region6/qa/index12.htm
www.spec t roscopyonl ine .com May 2012 Spectroscopy 27(5) 65
Short CoursesMay
22–23 Infrared Spectral Interpretation
Pittsburgh, PA
pacslabs.com
June
4–6 Mass Spectral Interpretation
Philadelphia, PA
pacslabs.com
10 Modern Enantiomeric Separations
Ft. Worth, TX
www.chirality2012.com/shortcourses.html
10 Chiroptical Techniques for the
Determination of Absolute Configuration
Ft. Worth, TX
www.chirality2012.com/
shortcourses.html
10 Chiral NMR Shift Reagents,
Mechanism and Use
Ft. Worth, TX
www.chirality2012.com/
shortcourses.html
14–16 International School: Raman
Spectroscopy Applied to Earth Sciences
and Cultural Heritage
Nancy, France
georaman10.uhp-nancy.fr/internation
alschool/courses.html
July
3–9 International School 0f Atomic and
Molecular Spectroscopy Workshop
onNew Developments in Inorganic
Luminescent Materials: Persistent Lumi-
nescence, Optical Bioimaging, and Novel
Materials For Medical Detectors and for
Solar Energy Conversion
Erice, Italy
bc.edu/schools/cas/physics/
spectroscopy/erice.html
9–11 Mass Spectral Interpretation
Boston, MA
pacslabs.com
9–13 Infrared Spectroscopy I
Bowdoin College, Brunswick, ME
www.ircourses.org/course1.html
16–20 Infrared Spectroscopy II
Bowdoin College, Brunswick, ME
www.ircourses.org/course2.html
16–20 F-techniques: FCS, FCCS, FLCS,
FRET, FLIM, and FRAP
Biopolis, Singapore
www.picoquant.com/_events.htm
August
1–3 FluoroFest
Bethesda, MD
fluorofest.org/
13–15 Mass Spectral Interpretation
Atlantic City, NJ
pacslabs.com
21–23 Infrared Spectral Interpretation
Atlantic City, NJ
pacslabs.com
30 Fluorescence Spectroscopy
Easton, MD
www.jascoinc.com/Training/
Fluorescence-Spectroscopy.aspx
September
5–7 Single Molecule Spectroscopy and
Ultra Sensitive Analysis in the Life
Sciences
Berlin, Germany
www.picoquant.com/_events.htm
9–11 SIMS Europe 2012
University of Münster, Germany
www.sims-europe.eu/SIMS-Europe/SIMS_
Europe_2012__Venue.html
October
2 Analytical Raman Spectroscopy
Kansas City, MO
facss.org/contentmgr/showdetails.php/
id/458
2 Forensic Science: Microscopy in Trace
Analysis
Kansas City, MO
facss.org/contentmgr/showdetails.php/
id/39176
2 Raman Chemical Imaging Technologies
and Methods
Kansas City, MO
facss.org/contentmgr/showdetails.php/
id/38658
3 Infrared Spectral Interpretation:
A Strategic Approach
Kansas City, MO
facss.org/contentmgr/showdetails.php/
id/38233
3 Professional Analytical Chemists
in Industry: A Short Course
for Undergraduate Students
Kansas City, MO
facss.org/contentmgr/showdetails.php/
id/38659
4 Hands-On Chemometric Analysis
with the Unscrambler
Kansas City, MO
facss.org/contentmgr/showdetails.php/
id/38663
7 Advanced Impedance Spectroscopy
Honoluu, HI
www.che.ufl.edu/orazem/
Short_Courses.htm
29–1 November Principles and
Applications of Time-Resolved
Fluorescence Spectroscopy
Baltimore, MD
www.picoquant.com/_events.htm
Ad IndexAd Index
Showcase
66 Spectroscopy 27(5) May 2012 www.spec t roscopyonl ine .com®
ADVERTISER PG# ADVERTISER PG# ADVERTISER PG#
ABB, Inc. 7
Agilent Technologies, Inc. 3
Amptek 5
Avantes BV 49
B&W Tek, Inc. 9
Bayspec, Inc. 41
Bruker Daltonics 43, CV3
Bruker Optics 35
Cetac Technologies, Inc. 31
Enwave Optronics, Inc. 30
FACSS 51
Fiveash Data Management 19
Glass Expansion 21
Harrick Scientific Corp 15
Hellma Cells, Inc. 55
Horiba Scientific 58, CV4
Mightex Systems 6
MIRTHE 2012 57
Moxtek, Inc. 22, 23
New Era Enterprises, Inc. 66
Newport Corporation 59
NSG Precision Cells, Inc. 6
OI Analytical Corp. 28
Panalytical 37
PerkinElmer 11
Photonis 10
PIKE Technologies 16, 17, 66
Renishaw, Inc. 4
Rigaku 29
Shimadzu Scientific Instruments 33
Stellar Net, Inc. 27
Teledyne Leeman Labs 24–25
Thermo Fisher Scientific Cover Tip, CV2
6125 Cottonwood Drive Madison, WI 53719 608.274.2721email: [email protected]
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Pharmaceutical | Tamara Phillips | 440.891.2773
EVENT OVERVIEW:
Process analytical chemistry experienced a renaissance in
the mid to late 2000’s with the uptake of Process Analytical
Technology (PAT) in the pharmaceutical industry. Fourier
Transform-Infrared spectroscopy (FT-IR), both mid- and
near-IR (NIR), has played a strong role in the understanding
and control of our manufacturing processes. Mid-IR has the
advantage of having greater specificity, which allows easier
interpretation in the process understanding phase of devel-
opment, whereas NIR has advantages in deployment for
manufacturing control.
This presentation will discuss applications of FT-IR technol-
ogy in the development and process implementation of
chemical processes. Applications will include the impact on
quality control, reaction process development and optimi-
zation, use of Arrhenius’s law, crystal form monitoring, and
fermentation monitoring. Other topics will include benefits
to in-situ real-time monitoring such as sampling and lack of
other techniques for monitoring. The topics of at-line, on-line
and in-line monitoring will also be discussed. Examples will
focus mainly on mid-IR spectroscopy but some NIR applica-
tions will be included.
FT-IR as a Process Analytical Tool for
Process Understanding and ControlLIVE WEBCAST: Tuesday, May 22, 2012 at 11:00 AM EDT
Register Free at http://spectroscopyonline.com/PAT
Key Learning Objectives:
n n How Process Analytical Technology
can be applied in the various phases
of product development
n n The impact and benefits of real-time
in-situ monitoring on chemical and
physical properties of compounds
n n Understanding of near-line, on-line
and in-line applications of Process
Analytical Technology
n n Applications in chemical
processes, from the lab to pilot and
manufacturing scales
Who Should Attend:
n n Analytical chemists, synthetic
chemists, process and chemical
engineers in development and
manufacturing, and quality control
chemists
n n Scientists in industries such
as chemical, pharmaceutical,
biopharmaceutical, food, and
consumer products
n n Managers who wish to understand
the benefits of process analytical
chemistry and technology
Presenter:
Jim Rydzak
Senior Investigator
GlaxoSmithKline
Moderator:
Laura Bush
Editorial Director
Spectroscopy
For questions, contact Jamie Carpenter at [email protected]
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