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Spectroscopy instructs scientists, technicians, and laboratory managers in the efficient, productive use of spectroscopic instruments, and promotes the acceptance of spectroscopy as a practical analytical technology in industry and life science. We serve subscribers by publishing a highly focused editorial product that combines peer-reviewed scientific articles with practical, solutions-based information, helping them to become better spectroscopists whether they work in the laboratory, on the process line, or in the field.

Annual Salary Survey
2009 Salary Survey: Salaries and Stress on the Rise
LCGC assistant editor Megan Evans discusses this year's salaries and trends in employment for spectroscopists.
2008 Salary Survey: Salaries and Stress Shrink
Spectroscopy staff editor Brian Johnson discusses this year's salaries and trends in employment for spectroscopists.
The 2004 Spectroscopy Survey of Salaries and Employment Issues
A Look at Spectroscopists' Incomes and Attitudes About Their Jobs
2007 Salary Survey
Staff editor Brian Johnson takes a look at this year's salaries and trends in employment for spectroscopists.
2006 Salary Survey: Salary Changes and Job Satisfaction in the Spectroscopy Community
This year's survey of salaries and job attitudes reveals that the market seems stable, but many spectroscopists are feeling the pressure of the economy at work.
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Application Notes - Atomic Spectroscopy
Fingerprinting of Raw Materials Used in Glass Production
This note demonstrates that PANalytical’s Epsilon3 XRF can rapidly identify raw materials for glass production, subtle differences in processing (glass sand versus flour), or easily differentiate slight chemical composition variations.
Measurement of Sodium and Potassium in Portland Cement by Flame AA
Low-alkali types of Portland cement contain concentrations of Na and K that are suppressed to low levels. Presented here is an analysis of Na and K in a standard sample of Portland cement (211R) to determine their respective concentrations.
IC-ICP-MS Speciation Analysis of As in Apple Juice
In this study, apple juice samples are analyzed by IC-ICP-MS to determine the concentration of six arsenic species: the two inorganic, and highly toxic, species (As [V] and As [III]) and four organic species (arsenobetaine [AsB], arsenocholine [AsC], monomethylarsonic acid [MMA], and dimethylarsinic acid [DMA]).
Enhanced Productivity ICP Approaches for Engine Oil Analysis
We compared two approaches to oil analysis. First, diluted oils were analyzed with an enhanced productivity (EP) accessory. Alternatively, oils were both diluted and analyzed using an EP accessory.
Iron and Steel Analysis Using Simultaneous ICP Emission Spectrometry
Different types of iron and steel consist of many different characteristics, which are dependent on the types and amounts of elements in these products. In this application, the analysis of standard substances in iron and steel is shown.
Analysis of trace elements in petro-diesel and biodiesel fuels
Microwave Plasma-Atomic Emission Spectrometry (MP-AES) provides an ideal, low-cost solution for multi-element analysis of diesel fuel samples with excellent long-term stability, reduced running costs, and improved lab safety.
Analysis of low level Phosphorus in gasoline
XRF is a versatile tool for QC of petroleum products. Phosphorous analysis in gasoline is critical due to adverse impact on catalytic converters. This application notes details key requirements for XRF sub-ppm quantification.
Trace Elemental Analysis of Trichlorosilane by Agilent 7700s ICP-MS
Metallic impurities in trichlorosilane (TCS) must be strictly controlled to produce the high purity PV silicon necessary for solar cell manufacturing. A successful analytical method was developed using an Agilent 7700s ICP-MS.
The Determination of Mercury in Drinking Water
This application note describes the sample handling requirements, analysis conditions, and results obtained for the determination of mercury in drinking water using the Hydra IIAA Mercury Analyzer from Teledyne Leeman Labs.
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Application Notes - General
Advantages of TE Cooling for Raman and Fluorescence
In this application note we demonstrate the benefits of a TE cooled spectrometer by comparing the technology with a noncooled device, configured for both fluorescence and Raman spectroscopy.
Real-Time High Precision ICP-OES Analysis for Precious Metals
This application note demonstrates how using the Thermo Scientific iTEVA Precision Software with the Thermo Scientific iCAP 6000 Series ICP-OES for implementation of ISO bracketing calculations removes the necessity for time-consuming off line calculations
Generating Purge Gas for FT-IR Spectroscopy
Water vapor and CO2 in a FT-IR sample chamber lead to additional peaks that obscure information. These can be eliminated by sealing sample chamber and purging with dry, CO2 free air/nitrogen.
Wire Grid Polarizer – 10% Improvement in PBS Efficiency
This technical brief compares imaging needs and how Moxtek is improving its products. It explains how competing technologies in LCoS projectors compare in terms of brightness, performance, durability and reliability.
Observing the Solar Spectrum at House of Science
Analysis of the temperature of the photosphere and determine the temperature by students using CCD spectrometers.
Design Considerations for the Q Series
The Q Series is a line of step-up DC to high voltage DC converters in an ultra-miniature 0.125 cubic inch package. Models are available covering the range of 0 to +/-100 volts through +/-5,000 volts, with an input of 0 to 5 volts or 0 to 12 volts, depending on model number.
Corrosion Resistance of DuraBeryllium® Plus X-ray Windows
DuraBeryllium® Plus windows are Moxtek’s most robust coated beryllium X-ray window. This window has an additional thin coating of polymer “Plus” applied to the already robust DuraBeryllium window. The Plus layer is more resistant to water and other harsh chemicals.
Corrosion Resistance of X-ray Windows- DuraBeryllium Plus
DuraBeryllium® Plus windows are Moxtek’s most robust coated beryllium x-ray window. This window has an additional thin coating of polymer “Plus” applied to the already robust DuraBeryllium window. The Plus layer is more resistant to water and other harsh chemicals.
Disinfection of Tetraselmis sp. with UV LED Application
Ballast water is seawater that fills a ship to maintain its balance. Annually, about 10 billion tons of ballast water with organisms such as planktons, germs, and bacteria is being transported around the world, and they cause diseases and contamination of marine ecology. UV treatment has the advantage of having no remaining toxic and disinfection by products (DBPs). Selective monochromatic wavelengths can be applied in the UV. Besides this UV LED modules have a low power consumption rate and only a 10~100 (mA) applied current.
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Application Notes - Mass Spectrometry
The Determination of Hg in Food/Fish Samples By Direct Analysis
Direct mercury analysis, as described in EPA 7473, is an alternative method to traditional techniques that require elaborate prep procedures. Direct mercury analysis requires no sample prep and delivers results in as little as ~6 min per sample making it significantly faster with comparable or better recoveries than traditional wet chemistries.
Sample Preparation for NIR Analysis
A much discussed issue related to near infrared analysis (NIR) is the necessity of sample preparation. Ground and unground samples of wheat were analyzed to determine how truly necessary it is to homogenize samples before NIR analysis. The new Retsch TWISTER mill, specifically designed for NIR sample preparation, was utilized for this comparative study.
Temperature Induced Changes in Clays Measured by Diamond ATR FT-IR Spectroscopy
Increasing temperature can cause chemical changes, alter reaction rates, concentrate an aqueous sample, or evaporate a solvent. These transformations can be readily monitored by diamond ATR spectroscopy. This note explores the use of a diamond ATR to examine heat-induced changes in the clay.
Multi-Residue Pesticide Analysis Using a GC Triple Quadrupole Mass Spectrometer
There are currently more than 1000 pesticides in use worldwide in the production of foodstuffs. There is a significant risk to human health and the environment due to increased pesticide use, poor agricultural practices and illegal use.
Analysis of Small Molecules with amaZon: Enhanced Sensitivity, Speed, and Dynamic Range
The amaZon series is the next step in Bruker Daltonics' family of ion trap mass spectrometers.
The Qualitative Analysis of Evolved Gases in Thermogravimetry by Gas Chromatography Mass Spectrometry
Thermogravimetric analysis (TGA) measures the change in the weight of a sample as a function of temperature.
Analysis of 258 Pesticides in Vegetable Matrix using Triple Quadrupole GC-MS/MS
There are nearly one thousand pesticides used in modern agricultural practice, and the residues of pesticides in the food from plant origins have been an increasing concern for consumers worldwide. Monitoring programs based analytical methodologies are established to ensure that the pesticide levels in plant foods are in compliance with national and international laws. However, the diversity of pesticides and complexity of food sample matrix present ongoing challenges for analytical chemists to meet the increasingly stringent requirements for sensitivity, precision, and throughput.
A New Data Dependent Acquisition Alogrithm (Fast DDA)
The analysis described demonstrates a new improved data dependent acquisition algorithm (Fast DDA) for the rapid characterization of complex protein digest samples. This method is used to characterize complex protein digest samples using a new data dependent acquisition algorithm.
Generating Purge Gas for FT/IR Spectroscopy
Water vapor and CO2 in FT-IR sample chamber lead to additional peaks that obscure information. These can be eliminated by sealing sample chamber and purging with dry, CO2 free air/nitrogen
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Application Notes - Molecular Spectroscopy
3D Confocal Raman Imaging in Semiconductor Research
The exacting standards of quality and reliability of structured substrates in the semiconductor industry require in-depth knowledge concerning the interior structure of the devices. In this application note, we present results of 3D confocal Raman imaging measurements for such characterizations.
Learn About AffirmoEX™ — New Electron Magnetic Resonance System
Recent years have seen a dramatic upsurge in the availability of miniaturized sensing technologies. Rapid advances in technology have been applied to scientific instruments, enabling new rugged, highly miniaturized spectrometers.
Thermally Stabilizing Your Miniature Spectrometer
The use of an active heating device to ensure spectrometer thermal wavelength stability — observed as how well the spectrometer performs without variation — is addressed in this application note.
Raman Spectroscopy for Identification and Characterization of Polymers
Raman spectroscopy is a rapid, nondestructive tool for determining the composition of polymer matrices and additives. This article discusses measuring unique and subtle differences in the matrices for quantitative analysis.
Long-Wavelength Dispersive 1064 nm Raman Counterfeit Detection of Rum, Shampoo, et al.
Increased capability for identifying genuine versus counterfeit materials is achieved by using dispersive 1064 nm Raman analyzers.
Sampling of Eye Drops Using Multi Reflection ATR
Multiple reflection ATR is ideal for detecting miniscule components in solution. A multiple reflection ATR, with a small, short path diamond, can readily distinguish between aqueous liquids by examining low concentration functional groups, as shown herein.
UV-vis Measurement of High Absorption Samples
Traditionally, samples which cannot be thinly sliced, diluted or subjected to other pretreatment procedures are difficult to measure. This note presents application examples utilizing a new UV-Vis spectrophotometer that features a wide photometric range, making measurement of these samples easy.
Analysis of Iodine Value in Pork Fat Using FT-NIR
Pork fat was directly analyzed in this study with Bruker’s FT-NIR system for iodine value (IV) with an accuracy expressed in RMSEP of 1.1 IV.
Determination of Low Concentration Methanol in Alcohol by an Affordable High Sensitivity Raman Instrument
Low concentration natural methanol exists in most alcoholic beverages and usually causes no immediate health threat. Nevertheless, it is possible to have natural occurring methanol in beverages with concentration as high as 18 g/L of ethanol.
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Atomic Perspectives Column
Analysis of Flue gas Desulfurization Wasterwaters by ICP-MS
Wastewater from coal-fired power plants is linked to a wide range of environmental and human health concerns. Measuring low levels of toxic trace metals in these wastewaters is complicated, however, by high levels of interfering matrix elements. A new EPA method using ICP-MS addresses this analytical challenge.
Measurement Techniques for Mercury: Which Approach Is Right for You?
The advantages and disadvantages of measuring mercury with cold vapor atomic absorption spectroscopy, cold vapor atomic fluorescence spectroscopy, and direct analysis by thermal decomposition are explained.
Close Enough: The Value of Semiquantitative Analysis
Most analytical measurements performed by either inductively coupled plasma–optical emission spectrometry (ICP-OES) or ICP–mass spectrometry (MS) require accuracy and precision, which are essential for obtaining correct answers. However, all modern ICP-OES and ICP-MS instruments have the ability to perform semiquantitative analyses. This seems strange since accuracy is important, but semiquantitative analysis does have a role in analytical measurements. This article will explore why semiquantitative analysis is important and will look at various ways it can be performed and implemented.
Using ICP-MS and ICP-OES to Measure Trace Elemental Impurities in Pharmaceuticals in Compliance with Proposed Pharmacopeia Chapters
The USP proposes the use of analytical techniques capable of measuring impurities at the specified limits with optimal selectivity, sensitivity, simplicity, and robustness.
Reducing the Effects of Interferences in Quadrupole ICP-MS
ICP-MS is powerful technique capable of measuring very low levels in a wide variety of sample types, limited only by cleanliness and the presence of interences. This article will examine the types of interferences that are encountered and various ways of dealing with them using a quadrupole ICP-MS instrument: mathematical correction equations, matrix removal, and cell-based ICP-MS. The strengths and limitations of each method will be discussed.
Atomic Absorption: Feeding the Food Safety Market
While viewed as a mature technology, atomic absorption is still an attractive choice, particularly in the area of food safety.
Using Qualifier Ions to Validate Multielement ICP-MS Data in Complex Samples
Guest authors Steve Wilbur and Ed McCurdy discuss the role of qualifier ions in ICP-MS research in this month's installment of "Atomic Perspectives."
Electron Transitions in Optical Emission and X-Ray Fluorescence Spectrometry
This article is a follow-up to an earlier "Atomic Perspectives" column on the spectral lines of hydrogen (1).
Advantages and Disadvantages of Different Column Types for Speciation Analysis by LC-ICP-MS
Speciation analysis by LC-ICP-MS has been growing rapidly in popularity and application over the past several years. Not only have people begun looking at different elements and species, but there has also been an increase in the variety of matrices that speciation analysis is being performed on.
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Atomic Spectroscopy
The Spectral Lines of Hydrogen
A short history of the early scientific developments related to the optical emission lines of hydrogen is presented. These were crucial to the development of the quantum theory. Balmer's empirical formula was an important milestone. Rydberg and others provided additional work, especially for higher atomic numbers. However, it remained for Bohr to provide the physical reasoning.
Spectroscopy Is Applied Quantum Mechanics, Part III: Introduction to Quantum Mechanics
Columnist David W. Ball discusses the pioneering work of Erwin Schrodinger, whose work on wave mechanics forms the basis of the modern understanding of subatomic behavior.
The Orbis Micro-XRF Analyzer Series
Building on more than 10 years of Micro-XRF experience, the Orbis spectrometer yields a system with excellent Micro-XRF capability while setting a new standard in analytical flexibility. The Orbis incorporates a unique motorized turret integrating video and X-ray optics allowing coaxial sample view and X-ray analysis. The turret can accommodate two additional collimators along with the X-ray optic for a total of three X-ray beam sizes to expand the Orbis analytical capabilities beyond traditional Micro-XRF analysis. Primary beam filters can be used with all spot sizes available on the turret to allow true XRF analytical capabilities in a micro-spot analysis. The working distance is increased to allow analysis over rougher sample topography without sacrificing signal intensity.
Cost-Effective Analysis of Major, Minor, and Trace Elements in Foodstuffs Usint the 4100 MP-AES
Whether the goal is food safety, ensuring quality, or establishing provenance, measuring the trace element content of foods and beverages that we all consume is of paramount importance. While some elements are essential for our well being at low concentrations, others like lead and chromium are highly toxic and more still are being linked to viral, neurological, and other diseases. Food scares related to contamination or poor quality not only constitute a health risk, they also undermine consumer confidence. This can lead to lost earnings through reduced sales and loss of credibility through adverse publicity.
Analysis of Wear Metals and Additive Package Elements in New and Used Oil Using the Optima 8300 ICP-OES with Flat Plate Plasma Technology
The Optima 8x00 ICP-OES series utilizes the new Flat Plate plasma technology that replaces the traditional helical coil design used since the inception of the inductively coupled plasma. The Flat Plate plasma technology, as seen in Figure 1, utilizes two flat induction plates to produce a plasma that is compact, dense, and robust. This plasma utilizes about half the argon required by previous helical coil designs while still delivering exceptional analytical performance.
IC–ICP–MS Speciation Analysis of As in Apple Juice
In this study, apple juice samples are analyzed by IC–ICP–MS to determine the concentration of six arsenic species: the two inorganic, and highly toxic, species (As (V) and As [III]) and four organic species (arsenobetaine [AsB], arsenocholine [AsC], monomethylarsonic acid [MMA], and dimethylarsinic acid [DMA]).
Benchtop WDXRF for Cement Analysis
Cement is one of the most important materials in the construction industry. Traditionally, WDXRF spectrometers used in cement plants have been large, floor-standing models with substantial installation requirements and ownership expenses. This application note demonstrates the capabilities of the Rigaku Supermini — a new low-cost, benchtop wavelength dispersive X-ray fluorescence (WDXRF) spectrometer — for the rapid quantitative elemental analysis of cement raw meal.
Microwave Digestion of Pharmaceutical Finished Products and Ingredients for Upcoming USP Method 233
Current USP Method 231 "Heavy Metals" was introduced in 1905 for determining heavy metal impurities in pharmaceutical drug products. The procedures of the method have several limitations, which produce results that are nondiscriminatory, difficult to reproduce, and qualitative, or at best, semi-quantitative.
Atomic Absorption: Current and Future Trends
Atomic absorption (AA) is a mature technique, but many laboratories are still finding room for innovation and continued success with it. Joining us for this discussion are Charles A. Schneider, PerkinElmer, Inc., and Fergus Keenan, Thermo Fisher Scientific.
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Automation/Computers
Electronic Records Management
Paper is easy to archive, but what about archiving electronic records? What do you do with all the electronic records that are generated? In this month's installment, columnist Bob McDowall explores the issue of electronic records management and looks at the recent guidance issued by the OECD for GLP laboratories.
Understanding the FDA's Current Thinking on Security and Access Control Requirements for Computerized Systems
Using information provided by guidance documents from outside the spectroscopy laboratory can be very useful when trying to meet the regulations that we must follow.
Fully Integrated Analysis of Metabolites, Impurities, andDegradants Using LC–NMR–MS
Combining the three techniques of LC, MS, and NMR into one integrated system provides optimal use of NMR intrument time by using information-rich MS data to automatically guide the NMR operation. Here, the authors explore just this type of system.
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Biological/Medical Analysis
Miniature Optical Spectrometers: Follow the Money Part II: The Telecommunications Boom
The author examines NIR spectrometers and the technologies developed during the telecommunications boom of the late 1990s, focusing on miniaturized optical techniques generally called MOEMS.
FT-IR–Raman Combination: The Perfect Analytical Solution for Vibrational Spectroscopists
The authors discuss the combined use of Raman and FT-IR spectroscopy in fields such as forensic science, biomedical science, catalysis, and polymers.
New Technique for Detection of Carbon Nanotubes in the Body
New research being conducted at the University of Arkansas is demonstrating that Raman spectroscopy can be used to detect and monitor circulating carbon nanotubes in vivo and in real time.
Mass Spectrometry and Glial Cells
Using a new mass spectrometry technique and stem cells that can be made to produce either neurons or glial cells, a team of researchers at the Salk Institute for Biological Studies (La Jolla, California) identified a molecular signaling pathway that is required for the production of glial cells, yielding insight into the neurobiology of Down?s syndrome and several nervous system disorders characterized by too many glial cells.
Probing the Structural Effects of Pasteurization and Spray Drying on Soy Protein Isolate in the Presence of Trehalose Using FT-IR-ATR and FT-Raman Spectroscopy
The authors present the results of a study in which FT-IR-ATR and FT-Raman spectrosopies were used to probe the effects of pasteurization and spray drying on the secondary structure of soy protein isolate.
Surface-Enhanced Nanosensors
January 2007. This review article summarizes biological applications that utilize surface plasmon resonance, localized surface plasmon resonance, and surface-enhanced Raman spectroscopy.
Analysis of Volatile Bacterial Metabolites by Gas Chromatography-Mass Spectrometry
Here the authors describe a new method for the identification of key volatile organic compound markers using mass spectrometry combined with gas chromatography.
Measurement of Metabolic Stability Using SIM and Identification of Metabolites by Data-Dependent full-Scan MS-MS and CNL Scanning
In this article, the role of a triple-quadrupole mass spectrometer in performing in vitro studies of compound metabolic stability and identification of Phase I and II metabolites is demonstrated.
Measurement of the Dynamic Rates of Association and Dissociation of EGF with its Cell-surface Receptor in Intact Cells
Many important biological signals are triggered by the binding of a peptide hormone to its cognate receptor at the cell surface. Using stopped-flow fluorescence spectroscopy, the authors have been able to observe, in real time, ligand binding to epidermal growth factor receptors expressed at the surface of intact cells. This method allows for the measurement of kinetic association and dissociation rates with high data density in a native cellular environment, providing insights into the signal-initiation process in this system that have not been revealed through the determination of ligand-binding constants obtained by more traditional methods.
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Book Reviews
Book Review
This book makes serious efforts to include examples of the various ways in which information about the underlying behavior of a system can be extracted from data obtained from the system.
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Calibration/Validation
USP <1058> Analytical Instrument Qualification and the Laboratory Impact
In this column, Bob McDowall discusses the impact of USP general chapter 1058 on the spectroscopy laboratory.
Validation of Spectrometry Software: The Proactive Use of a Traceability Matrix in Spectrometry Software Validation, Part I: Principles
Tracing requirements from a user requirements specification throughout the life cycle is not only a very effective business tool to save time and effort in validation projects but also a regulatory expectation. This first installment of a two-part column series looks at the principles of a traceability matrix.
Validation of Spectrometry Software: Understanding the Role and Content of a Validation Master Plan
Columnist Bob McDowall discusses the role of a validation master plan (VMP) for summarizing a laboratory's approach to computer validation.
Validation of Spectrometry Software: The Proactive Use of a Traceability Matrix in Spectrometry Software Validation, Part II: Practice
The second part of this column series on traceability matrices looks at some of the practical ways of tracing requirements from the user requirements throughout the life cycle documents.
Validation of Spectrometry Software - To Patch or Not To Patch - That Is the Question
Columnist Bob McDowall discusses operating system security patches.
Mass Calibration: Special Needs for Proteomics
Part IV of this four-part series wraps up the discussion of mass calibration, covering the "new generation" attributes that have become apparent as researchers aim to meet the calibration demands of proteomics.
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Chemometrics
Statistics and Chemometrics for Clinical Data Reporting, Part I
This article describes the application of chemometric methods and statistics for reporting clinical quantitative measurement methods. The equations and terminology are consistent with the Clinical and Laboratory Standards Institute (CLSI) guidelines. These chemometric and statistical methods describe the accuracy and precision of a test method compared to a reference method for a single analyte determination. Part I will introduce these concepts and Part II will discuss the statistical underpinnings in greater detail.
The Long, Complicated, Tedious, and Difficult Route to Principal Components: Coda
Columnists Howard Mark and Jerome Workman, Jr. take a final look at the topic of principal components, which has been the subject of six previous installments.
The Long, Complicated, Tedious, and Difficult Route to Principal Components: Part VI
This column is a continuation of the set we have been working on to explain and derive the equations behind principal components (1–5). As we usually do, when we continue the discussion of a topic through more than one column, we continue the numbering of equations from where we left off.
The Long, Complicated, Tedious, and Difficult Route to Principal Components: Part V
For a system of homogeneous equations to have a solution other than the trivial solution, the determinant of the system of equations must be zero.
The Long, Complicated, Tedious, and Difficult Route to Principal Components: Part III
Howard Mark and Jerome Workman, Jr. continue their discussion of the derivation of the principal component algorithm using elementary algebra.
The Long, Complicated, Tedious, and Difficult Route to Principal Components: Part II
Howard Mark and Jerome Workman, Jr. continue their discussion of the derivation of the principal component algorithm using elementary algebra.
The Long, Complicated, Tedious, and Difficult Route to Principal Components: Part I
In this month's installment, columnists Howard Mark and Jerome Workman, Jr. present the derivation of the principal component algorithm using elementary algebra.
Addendum to Chemometrics in Spectroscopy
This column is the continuation of a series (1-5) dealing with the rigorous derivation of the expressions relating the effect of instrument (and other) noise to its effects on the spectra we observe. Our first column in this series was an overview. While subsequent columns dealt with other types of noise sources, the ones listed analyzed the effect of noise on spectra when the noise is constant detector noise (that is, noise that is independent of the strength of the optical signal). Inasmuch as we are dealing with a continuous series of columns, on this branch in the thread of the discussion, we again continue the equation numbering and use of symbols as though there were no break. The immediately previous column (5) was the first part of this set of updates of the original columns.
Limitations in Analytical Accuracy, Part II: Theories to Describe the Limits in Analytical Accuracy and Comparing Test Results for Analytical Uncertainty
In the second part of this series, columnists Jerome Workman, Jr. and Howard Mark continue their discussion of the limitations of analytical accuracy and uncertainty.
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Chemometrics in Spectroscopy Column
Classical Least Squares, Part IV: Spectroscopic Theory Continued
The connection between the mathematics of classical least squares and the graphical displays used to present it is examined in further detail.
Classical Least Squares, Part III: Spectroscopic Theory
The authors continue their ongoing discussion of classical least squares with a look at spectroscopic theory.
Classical Least Squares, Part II: Mathematical Theory Continued
The authors continue their discussion of the classical least squares approach to calibration.
Classical Least Squares, Part I: Mathematical Theory
In this month's installment of "Chemometrics in Spectroscopy," the authors begin a new subseries with the goal of explaining the classical least squares algorithm.
Statistics and Chemometrics for Clinical Data Reporting, Part III: Using Excel for Data Plotting
This installment of "Chemometrics in Spectroscopy" illustrates the various graphical ways used to observe and interpret comparative clinical quantitative measurement methods.
Statistics and Chemometrics for Clinical Data Reporting, Part I
This article describes the application of chemometric methods and statistics for reporting clinical quantitative measurement methods. The equations and terminology are consistent with the Clinical and Laboratory Standards Institute (CLSI) guidelines. These chemometric and statistical methods describe the accuracy and precision of a test method compared to a reference method for a single analyte determination. Part I will introduce these concepts and Part II will discuss the statistical underpinnings in greater detail.
The Long, Complicated, Tedious, and Difficult Route to Principal Components: Coda
Columnists Howard Mark and Jerome Workman, Jr. take a final look at the topic of principal components, which has been the subject of six previous installments.
The Long, Complicated, Tedious, and Difficult Route to Principal Components: Part VI
This column is a continuation of the set we have been working on to explain and derive the equations behind principal components (1–5). As we usually do, when we continue the discussion of a topic through more than one column, we continue the numbering of equations from where we left off.
The Long, Complicated, Tedious, and Difficult Route to Principal Components: Part V
For a system of homogeneous equations to have a solution other than the trivial solution, the determinant of the system of equations must be zero.
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Conferences and Exhibitions
57th ASMS Conference Preview
Spectroscopy previews the upcoming ASMS conference to be held May 31–June 4, 2009, in Philadelphia, Pennsylvania.
Pittcon 2009 New Product Review
Spectroscopy columnist Howard Mark takes a comprehensive look at the products that were introduced at Pittcon 2009 in Chicago.
35th Annual FACSS Meeting
Spectroscopy previews the upcoming 35th Annual Meeting of the FACSS, to be held September 28 to October 2, 2008, in Reno, Nevada.
35th Annual FACSS Meeting
Spectroscopy previews the upcoming 35th Annual Meeting of the FACSS, to be held September 28 to October 2, 2008, in Reno, Nevada.
DXC 2008: The World's Leading Forum for X-Ray Materials Analysis
A preview of the 57th Annual Denver X-Ray Conference, to be held August 4–8 in Denver, Colorado.
The 56th Annual ASMS Conference: A Review
A summary of the five-day mass spectrometry conference held this month in Denver, Colorado.
DXC 2008: The World's Leading Forum for X-Ray Materials Analysis
A preview of the 57th Annual Denver X-Ray Conference, to be held August 4–8 in Denver, Colorado.
Highlights of the 56th Annual ASMS Conference on Mass Spectrometry
Spectroscopy Magazine was well represented at the 56th Annual ASMS Conference on Mass Spectrometry, held at the Colorado Convention Center in Denver, Colorado, from June 1?5, 2008.
Pittcon 2008: Back to New Orleans and Coffee and Beignets for Breakfast
John Coates presents a comprehensive review of the products and accessories introduced at Pittcon this year.
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Current Issues
Chemical Warfare Agents and Use of Thermal Desorption–GC–MS to Achieve Improved Trace-Level Detection
This article discusses the analysis of a wide range of CWAs at current exposure limits and describes a number of recent beneficial developments in TD and associated analytical technologies for the identification and quantification of CWAs at these levels.
Chemical Warfare Agent Spectral Imaging for Real-Time Identification and Localization
In this article, the authors discuss the need for protection against chemical attacks and the role of passive imaging spectroradiometers in the detection of remote chemical agents.
Rapid Field Detection of Chemical Warfare Agents and Toxic Industrial Chemicals Using a Hand-Portable GC–TMS System
In this article, methods developed for rapid, automated detection of CWAs and TICs using a low thermal mass capillary gas chromatograph coupled to a toroidal ion trap mass spectrometer (TMS) are presented.
Spectroscopy: A Technology for All Seasons
Spectroscopy techniques are an important facet of the laboratory analytical and life science instrument industry, which continues to expand as its analytical requirements migrate across industries and geographic regions. Overall industry growth has been in the 6-8% range for the last few years, which is a sign of both its maturity and its stability. The demands of the life science marketplace, environmental concerns, and the search for new materials are important driving forces. Likewise, the shifting market focus from North America and Europe to Asia is changing the face of the industry. It is expected that 2008 will be a good year for the industry despite the likely economic slowdown in North America and Europe.
Atomic Absorption: Current and Future Trends
Atomic absorption (AA) is a mature technique, but many laboratories are still finding room for innovation and continued success with it. Joining us for this discussion are Charles A. Schneider, PerkinElmer, Inc., and Fergus Keenan, Thermo Fisher Scientific.
Synchrotron Radiation-Based XRF Reveals the Secrets of Famous Paintings
Koen Janssens, professor of chemistry at the University of Antwerp (Belgium), uses synchrotron radiation-based X-ray fluorescence (XRF) to analyze historic works of art. In a recent study, he used various spectroscopic techniques, including several X-ray methods, to reveal the process by which the yellow paint in some of Vincent Van Gogh?s paintings darkened over time.
Spectroscopy in Space: Hubble and the Cosmic Origins Spectrograph
In an upcoming spacewalk, shuttle astronauts will swap the Corrective Optics Space Telescope Axial Replacement (COSTAR) device for the new Cosmic Origins Spectrograph (COS).
Spectroscopy: Still Important and Surprisingly Robust
Industry expert Lawrence Schmid presents his annual overview of the market in the laboratory analytical and life science instrument industry. Strong growth in Asia and continued growth in North America and Europe are promising signs for the industry in 2007 and beyond.
Resonance Light Scattering Spectrum of the Alizarin Green-CTMAB-Nucleic Acids System and Determination of Nucleic Acids at Nanogram Levels
The study of the interaction mechanism of nucleic acids-CTMAB with AG showed that the enhanced RLS comes from the aggregation of AG on nucleic acids through the bridged and synergistic effect of CTMAB.
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Departments: News Spectrum Column
News Spectrum
New Optical Technique Promises Rapid and Accurate Malaria Diagnosis; Ultrafast Spectroscopy Provides Clear Understanding of How Glass Behaves
News Spectrum
European Chemicals Agency Launches Chemical Classification and Labeling Inventory
News Spectrum
Annual Award Recognizes Innovative Academic Research in Remote Sensing; Duncan Graham Named Recipient of Coblentz Society's 2012 Craver Award
News Spectrum
Spectroscopy magazine is pleased to announce the addition of Jim Rydzak to its editorial advisory board.
News Spectrum
Micky Myrick Joins Spectroscopy's Editorial Advisory Board
News Spectrum
New Website for PIKE; Sabine Becker Wins the 2012 Winter Conference Award in Plasma Spectrochemistry
News Spectrum
News items from the Spectroscopy industry.
News Spectrum
The latest news in the field of spectroscopy.
News Spectrum
Wilson College (Chambersburg, Pennsylvania) has been awarded a $6,000 grant from the Spectroscopy Society of Pittsburgh (SSP) for the purchase of a fluorescence spectrophotometer to be used in the college's new Harry R. Brooks Complex for Science, Mathematics and Technology. The building houses subjects such as biology, chemistry, and veterinary medical technology.
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End of the Spectrum Column
Active Volcanoes in Space?
Spectrometer discovers signs of active cryovolcanoes on Saturn's largest moon, Titan.
End of the Spectrum: Spectroscosaurus Rex
Spectroscopy editor Brian Johnson discusses recent mass spectrometric findings linking dinosaurs and modern birds.
End of the Spectrum: Spectroscopy Plays the Violin
Brian Johnson takes a look at two types of spectroscopy that help unlock the secrets of the famous Stradivarius violins.
End of the Spectrum: NIR Speaks a Second Language
Spectroscopy editor Brian Johnson discusses how, by using near-infrared spectroscopy to examine the human brain's higher cognitive capacities, researchers at Dartmouth College have discovered areas in the brain that indicate bilingualism. Their goal is to unravel the mystery of how a bilingual person enhances the brain?s language centers as opposed to a monolingual person.
End of the Spectrum: Infrared Spectrometry on the Moon
The European Space Agency brings infrared spectrometry to new heights.
End of the Spectrum: A 3D Look at Alzheimer's Disease
A new imaging technique based on MRI scans lets researchers study brain structure changes in early stages of the disease.
End of the Spectrum: The Changing Trend in U.S. Research Funding
Most of the 2.2 billion dollars increase in the 2006 federal research and development budget will go toward defense weapons development and human space exploration technologies, according to the American Association for the Advancement of Science.
End of the Spectrum: Studying Water One Molecule at a Time
Chemists use spectroscopy to understand the unusual chemical behavior of water at the molecular level.
End of the Spectrum: Revealing More Than Meets the Eye
Using MXRF, researchers have developed a novel method that detects fingerprints through the salts that are excreted in sweat.
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FT-IR Spectroscopy
Temporary On-line FT-IR Spectroscopy for Process Characterization in the Chemical Industry
Case studies involving fouling and product quality illustrate the effective use of this method.
Analytical Vibrational Spectroscopy - NIR, IR, and Raman
How can you navigate the maze of choices for detecting molecular vibrations with mid-infrared (IR), near IR (NIR), and visible (Raman)? Understanding what is being measured, how it is measured, and the advantages and disadvantages of each technique, will help.
Classical Least Squares, Part VII Spectral Reconstruction of Mixtures
Continued discussion of the classical least squares approach to calibration, with a focus on the reconstruction of mixtures
NIR Monitoring of a Hot-Melt Extrusion Process
Process analytical technology (PAT) and hot-melt extrusion (HME), commonplace in the food and polymer industries, are becoming increasingly deployed in the pharmaceutical industry. Herein the application of in-line, transmission mode, Fourier-transform near-infrared (FT-NIR) spectroscopy to the HME manufacturing platform for a drug product in development is detailed. NIR spectroscopy and partial least squares (PLS) models were developed for real-time active pharmaceutical ingredient (API) loading (%wt/wt) and surfactant loading predictions. These predictions were used for fault detection, isolation of suspect material, and real-time troubleshooting during HME. Additionally, the NIR/PLS output was used for real-time release of the intermediate drug product.
GPC–IR Hyphenated Technology to Characterize Copolymers and to Deformulate Complex Polymer Mixtures in Polymer-Related Industries
Liquid chromatography–mid infrared spectroscopy (LC-IR) is a powerful tool for copolymer analysis. This article describes an automated, self-regulating solvent-removal interface that produces continuous transmission spectra from the deposited, solvent-free, solid-phase chromatogram.
Contact and Orientation Effects in FT-IR ATR Spectra
In recent years, attenuated total reflection (ATR) spectroscopy has become the preferred method for many routine infrared (IR) measurements. However, the simplicity of the technique has made it available to users who may not be aware of some effects that significantly influence the appearance of ATR spectra. This results in changes to the relative intensities of different absorption bands. The aim of this article is to explain the origin of these effects and to provide examples. In particular, it will focus on those effects that are not evident from inspection of the spectra.
Using Real-Time FT-IR to Characterize UV Curable Optical Adhesives
When combined with the rapid scan speeds of modern instruments, Fourier-transform infrared (FT-IR) spectroscopy provides a powerful real-time method for monitoring chemical changes (for example, the optical adhesive caused by illumination of a UV lamp). This article describes the characterization of several adhesives used in an optical assembly. Several different approaches to measuring the rate of change during the curing experiment are described. As the number of uses for UV curing and photopolymerization increases, real-time FT-IR should play a major role in characterizing these new materials and products.
Optimizing FT-IR Sampling for a Method to 30 Determine the Chemical Composition of Microbial Materials
Algae and other aquatic species are promising sources for biomass that can be economically converted into fuel, and several infrared sampling techniques can be used to analyze these samples.
Pittcon 2011 New Product Review
Our yearly review of the hottest products at Pittcon
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FT-NIR Spectroscopy
Rapid Identification of Illicit and Prescription Drugs Using FT-NIR Spectroscopy
The authors discuss the use of FT-NIR to identify several different types of drug formulations.
Wavelength Tech Forum: FT-IR/NIR Spectroscopy
This month's Technology Forum looks at the topic of FT-IR/NIR spectroscopy and the trends and issues surrounding it. Joining us for this discussion are Rohit Bhargava, with the University of Illinois, Chris Petty, with Thermo Fisher Scientific, Jim Yano and John Beauchaine, with Aspectrics, Richard Larsen, with Jasco, Inc., and Alan Rein, with A2 Technologies.
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Featured Articles
Market Profile: Portable Raman Spectroscopy
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.
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.
Discriminating Paints with Different Clay Additives in Forensic Analysis of Automotive Coatings by FT-IR and Raman Spectroscopy
An investigation of the different kinds of clay used as paint additives with the goal of discriminating the paints
Spectroscopy Spotlight
Spectroscopy Spotlight
Improving Accuracy in Inductively Coupled Plasma–Quadrupole Mass Spectrometry: The Interference Standard Method
An approach for dealing with one of the main limitations of ICP-MS, low sensitivity and accuracy caused by spectral interferences
Department of Homeland Security Offers Programs for Individuals and Universities to Develop Expertise in Nuclear Forensics
In response to the growing concern in the United States over the threat of nuclear terrorism, the Domestic Nuclear Detection Office (DNDO) in the Department of Homeland Security (DHS) launched the National Nuclear Forensic Expertise Development Program (NNFEDP) in 2008. Led by DNDO in close collaboration with the Departments of Energy (DOE) and Defense, the NNFEDP is an interagency effort committed to developing and maintaining a robust academic and technical pipeline to strengthen the nuclear forensics workforce.
Validating ICP-MS for the Analysis of Elemental Impurities According to Draft USP General Chapters <232> and <233>
The current United States Pharmacopeia (USP) General Chapter <231> "heavy metals limit test" will be replaced by new instrumental methods, USP <232> (Limits) and <233> (Procedures), in 2013.
Raman Thermometry of Microdevices: Comparing Methods to Minimize Error
Temperature measurements can be made using spectral features such as the position, linewidth, and intensity of the Raman signal associated with specific optical phonon modes. Each of these spectral characteristics offers particular advantages, depending on the type of device and operational considerations.
Ensuring the Safety and Quality of Foodstuffs Produced in China: The Role of ICP-MS
This study focuses on the use of inductively coupled plasma–mass spectrometry (ICP-MS) in Chinese laboratories for measuring toxic, essential, and nutritional elements in foods. In particular, we describe recent advances in detection systems and interference removal capabilities to provide fast and simple multielement analysis over a wide concentration range for many different types of food samples.
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Fiber Optics
Can You See Me Now?
Researchers at the Massachusetts Institute of Technology have developed light-detecting fibers that act like a flexible camera when woven into a web.
Fiber Optics
Getting light from one place to another is a key task in any spectroscopic method. Sometimes we send light through (mostly) empty space using mirrors or lenses, and sometimes we use things called fiber optics. This installment of "The Baseline" tackles fiber optics.
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Field-Based Methods
Portable FT-IR and Raman Spectroscopy for Explosives Identification
This article discusses instruments that can be used in the field to rapidly and accurately identify various explosives and their precursors.
Chemical Warfare Agents and Use of Thermal Desorption–GC–MS to Achieve Improved Trace-Level Detection
This article discusses the analysis of a wide range of CWAs at current exposure limits and describes a number of recent beneficial developments in TD and associated analytical technologies for the identification and quantification of CWAs at these levels.
Chemical Warfare Agent Spectral Imaging for Real-Time Identification and Localization
In this article, the authors discuss the need for protection against chemical attacks and the role of passive imaging spectroradiometers in the detection of remote chemical agents.
Rapid Field Detection of Chemical Warfare Agents and Toxic Industrial Chemicals Using a Hand-Portable GC–TMS System
In this article, methods developed for rapid, automated detection of CWAs and TICs using a low thermal mass capillary gas chromatograph coupled to a toroidal ion trap mass spectrometer (TMS) are presented.
Forensic Application of Near-Infrared Spectroscopy: Aging of Bloodstains
The authors discuss the use of near-infrared spectroscopy to determine the age of a bloodstain, which can be critical in helping establish when a crime was committed.
Handheld FT-IR Spectrometers: Bringing the Spectrometer to the Sample
This article focuses on the emergence of handheld, portable FT-IR spectrometers and the implications with respect to applications and use.
Performance Characterization of ion Detectors in Harsh Environments
Recent developments in sample inlet systems, improved software, and the advent of special purpose mass spectrometers have improved the utility of MS instruments. here, the authors discuss this new utility.
New Technologies for Process Analytical and Quality Control Applications: Compact Raman
Guest author John Coates describes a new, compact handheld Raman instrument.
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Fluorescence
Using Fluorescence Correlation Spectroscopy (FCS) and Improved Filter Technology to Track Unknown Intracellular Activity via Proteins and Nucleic Acids
The basic techniques of fluorescence correlation spectroscopy (FCS) are discussed as well as several applications, such as nanoparticle dispersion studies.
Measurement Techniques for Mercury: Which Approach Is Right for You?
The advantages and disadvantages of measuring mercury with cold vapor atomic absorption spectroscopy, cold vapor atomic fluorescence spectroscopy, and direct analysis by thermal decomposition are explained.
The Dynamic World of X-ray Fluorescence
From the field to the synchrotron, XRF is expanding its power and scope.
Pittcon 2011 New Product Review
Our yearly review of the hottest products at Pittcon
More Raman Analyses Less Fluorescence Interference
In recent years, the spectroscopy community has observed rapid development of Raman instrumentation and its usefulness in a variety of applications. Routine Raman analysis with 785 nm excitation has served well for the great majority of industrial applications and has become the most favored instrument configuration.
Total Reflectance X-Ray Fluorescence Spectroscopy
X-ray fluorescence spectroscopy (XRF) provides sensitive analysis of the atomic composition of samples. The technique is particularly well-suited for analyzing the elemental range from sodium to uranium, which covers the majority of the metallic elements.
Medical Imaging with Filters and Quantum Dots
The onset of nanotechnology and targeted therapy methods for a number of pathologies has made it increasingly more difficult to image effectively in the medical field. With that being said, the inception of quantum dots and the improvements to optical filters has made this once daunting task a common practice.
The Orbis Micro-XRF Analyzer Series
Building on more than 10 years of Micro-XRF experience, the Orbis spectrometer yields a system with excellent Micro-XRF capability while setting a new standard in analytical flexibility.
Spectroscopic Monitoring of the Enrichment of Chlorin e6 in Tumors of the Skin
For the optimization of photodynamic therapy the spectroscopic detection of photosensitizer molecules, which are selectively enriched in tumour cells, can be useful.
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Focus on Quality Column
USP <1058> and the GAMP Guide on Laboratory Computerized Systems – Is Integration Possible?
Here's what needs to be done to harmonize these two documents.
Periodic Reviews of Computerized Systems, Part II
Continued discussion of the periodic review process, including how to conduct a review, the use of checklists, and reporting the outcome
Periodic Reviews of Computerized Systems, Part I
Annex 11 to the EU's updated GMP regulations calls for periodic re-evaluation of computerized systems. This is what you need to know about the new rules.
Is GMP Annex 11 Europe's Answer to 21 CFR 11?
The revisions to GMP Annex 11 are examined in terms of the impact on computerized spectrometry systems operating in regulated GMP laboratories.
Fat Finger, Falsification, or Fraud?
Where is the dividing line between a simple mistake and falsification?
Dear Esteemed Vendor?
How good is documentation supplied by a vendor to support the qualification of an instrument or the validation of a laboratory computerized system?
Understanding and Interpreting the GAMP 5 Life Cycle Models for Software
Bob McDowall looks at the different life cycle models that apply in the laboratory to GAMP software categories 3, 4, and 5.
Are You Getting Value from Your Spectrometer?
Getting the best business value from a spectrometer requires knowledge of the instrument and its operating abilities, any attachments, the sample including sampling procedure and presentation, and the software. All of these elements must be pulled together by a skilled and knowledgeable spectroscopist. Unfortunately, this is not always the case in many organizations.
The Tiger Has Sharp New Teeth
The new FDA Commissioner wants a strong FDA and is backing her words with action by initiating a program that cuts the time that firms must respond to 483 observations from 30 to 15 business days. Not only is the time halved but the response must be complete. Therefore it is better and cheaper to be compliant than not.
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History
A Timeline of Atomic Spectroscopy
October 2006. This timeline provides a short history of the experimental and theoretical development of atomic spectroscopy for elemental spectrochemical analysis.
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Hyphenated Techniques
Market Profile: LC-MS Time-of-Flight Mass Spectrometry
An oft-overlooked segment of the mass spectrometry market is time-of-flight LC–MS. Although LC-TOF does not possess the capabilities of more expensive mass spectrometry techniques, it fills an important price-to-performance segment of the market. The trickling down of technology and heavy competition are contributing to a strong market outlook for the area.
Market Profile: LC-ICP-MS
The coupling of HPLC with ICP-MS is a relatively new technique that combines two very well established analytical methods. The combination of these analytical methods provides what could prove to be a very useful technique in clinical analysis. The total LC-ICP-MS market amounts to only a few percent of the overall ICP-MS market, but it is rapidly developing into a significant niche market.
Advances in the Separation and Detection of As, Cr, and Se Species in Potable Waters Using HPLC Coupled with Dynamic Reaction Cell ICP-MS
Here, the authors discuss a multielement method for the simultaneous determination of inorganic As, Cr, and Se species in potable waters using a HPLC system coupled to a dynamic reaction cell indusctively coupled plasma mass spectrometer.
High performance Mass Spectroscopy Begins with High-Performance Separations
This article discusses the role of recent LC developments in th quest for greater sensitivity, more complete sample characterization, and greater productivity.
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ICP-MS
Optimization of an Analytical Method for the Determination of Trace Metals in Urine by ICP-MS Coupled with a Dynamic Reaction Cell
Methods and results from a study analyzing metal concentrations in urine samples using inductively coupled plasma–mass spectrometry (ICP-MS)
Validating ICP-MS for the Analysis of Elemental Impurities According to Draft USP General Chapters <232> and <233>
The current United States Pharmacopeia (USP) General Chapter <231> "heavy metals limit test" will be replaced by new instrumental methods, USP <232> (Limits) and <233> (Procedures), in 2013.
The Determination of 226Ra in Nontypical Soil Samples by ICP-MS
This article describes a way to measure 226Ra using inductively coupled plasma–mass spectrometry (ICP-MS) rather than the conventional method of gamma spectroscopy, taking into account an undocumented interference (207Pb19F) that is caused by the requirement to use hydrofluoric acid during sample preparation. The unusually high Pb levels observed in a number of soil samples caused significant interferences at the very low concentrations of 226Ra that were measured. The expected 208Pb18O interference was insignificant under optimized instrument conditions.
Analysis of Flue gas Desulfurization Wasterwaters by ICP-MS
Wastewater from coal-fired power plants is linked to a wide range of environmental and human health concerns. Measuring low levels of toxic trace metals in these wastewaters is complicated, however, by high levels of interfering matrix elements. A new EPA method using ICP-MS addresses this analytical challenge.
Ensuring the Safety and Quality of Foodstuffs Produced in China: The Role of ICP-MS
This study focuses on the use of inductively coupled plasma–mass spectrometry (ICP-MS) in Chinese laboratories for measuring toxic, essential, and nutritional elements in foods. In particular, we describe recent advances in detection systems and interference removal capabilities to provide fast and simple multielement analysis over a wide concentration range for many different types of food samples.
Overcoming the Challenges Associated with the Direct Analysis of Trace Metals in Seawater Using ICP-MS
The direct analysis of seawater by inductively coupled plasma–mass spectrometry (ICP-MS) is notoriously difficult because of the high matrix content of the sample that leads to both spectroscopic (for example, polyatomic interferences) and nonspectroscopic interferences (for example, signal suppression). Additionally, the low target concentration levels demand a noncontaminating, robust sample introduction technique. The latest ICP-MS techniques provide high-throughput methods that are able to process large numbers of samples presented for analysis.
Spectrometers for Elemental Spectrochemical Analysis, Part IV: Inductively Coupled Plasma Optical Emission Spectrometers
A tutorial on inductively coupled plasma (ICP) excitation and sample introduction systems.
Close Enough: The Value of Semiquantitative Analysis
Most analytical measurements performed by either inductively coupled plasma–optical emission spectrometry (ICP-OES) or ICP–mass spectrometry (MS) require accuracy and precision, which are essential for obtaining correct answers. However, all modern ICP-OES and ICP-MS instruments have the ability to perform semiquantitative analyses. This seems strange since accuracy is important, but semiquantitative analysis does have a role in analytical measurements. This article will explore why semiquantitative analysis is important and will look at various ways it can be performed and implemented.
Pittcon 2011 New Product Review
Our yearly review of the hottest products at Pittcon
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Imaging/Microspectroscopy
Chemical Warfare Agent Spectral Imaging for Real-Time Identification and Localization
In this article, the authors discuss the need for protection against chemical attacks and the role of passive imaging spectroradiometers in the detection of remote chemical agents.
Maximizing Your IR Microscope: Techniques for Improved Performance and Measurement
The author discusses how researchers can gain the most accurate and useful data from their equipment by employing careful sampling and microscope techniques and following a few common best practices.
A Picture of Pentacene
Scientists from IBM Research used an atomic force microscope to create the first-ever close-up image of a single molecule.
The Revolution in Energy Dispersive X-Ray Spectrometry: Spectrum Imaging at Output Count Rates Above 1 MHz with the Silicon Drift Detector on a Scanning Electron Microscope
The author discusses the improvements offered by silicon drift detector energy dispersive X-ray spectrometry (SDD-EDS) systems over the classic Si(Li)-EDS for mapping the compositional microstructure of matter with scanning electron microscopy (SEM).
Advanced Infrared Imaging for Sample Analysis
The authors look at the ways in which an imaging FT-IR microscope system with an integrated linear array detector can aid in the examination of a wide array of samples.
Advantages of High OD Filters to Microscopy
The author discusses the use of filters in optical microscopy and the advantages that have been gained as a result of developments in filter technology.
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Industrial Spectroscopy
Ion Mobility-Mass Spectrometry: A Tool for Characterizing the Petroleome
The authors demonstrate the capacity to separate petroleum-derived molecules having the same nominal mass in the mobility dimension using IM-MS spectrometry.
Process Monitoring: In-line, At-line, or Slip-stream?
As process analytical technology (PAT) moves out of the laboratory and into the plant and to the process stream itself, the question arises, "What is the best way to collect data from stream samples?" The author shows that this depends upon both the nature of the stream and the components to be measured.
Analysis of Solar Silicon Using High-Throughput Spectroscopy
Infrared spectroscopy is a powerful analysis technique used in the semiconductor industry to ensure the quality of silicon and silicon wafers. The authors discuss the use of an inexpensive, lab-based system to measure carbon and oxygen concentrations in silicon to the level of precision required by the solar silicon industry.
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Industry
Ion Mobility-Mass Spectrometry: A Tool for Characterizing the Petroleome
The authors demonstrate the capacity to separate petroleum-derived molecules having the same nominal mass in the mobility dimension using IM-MS spectrometry.
Spectroscopy Demand Expected to Outpace the Industry in 2006
Realistically, 2005 was a good year for the laboratory analytical and life science instrument industry. Although growth has moderated from that experienced in the 1990s, a general rebound in worldwide industrial demand, and continued spending for life science and strong growth in Asia and North America drove instrument systems and aftermarket sales. Similar to last year, 2006 should be a year of healthy sales growth as global economic conditions support continued market expansion.
2006 Salary Survey: Salary Changes and Job Satisfaction in the Spectroscopy Community
This year's survey of salaries and job attitudes reveals that the market seems stable, but many spectroscopists are feeling the pressure of the economy at work.
Process Monitoring: In-line, At-line, or Slip-stream?
As process analytical technology (PAT) moves out of the laboratory and into the plant and to the process stream itself, the question arises, "What is the best way to collect data from stream samples?" The author shows that this depends upon both the nature of the stream and the components to be measured.
VWR, PerkinElmer Expand Chromatography, Spectroscopy Products Deal
PerkinElmer announced that it has signed a new distribution agreement with VWR International.
LabVantage Completes Acquisition of Life Technologies Corporation's SQL*LIMS Business
LabVantage announced that it has completed the acquisition of Life Technologies Corporation's SQL*LIMS business.
Analysis of Solar Silicon Using High-Throughput Spectroscopy
Infrared spectroscopy is a powerful analysis technique used in the semiconductor industry to ensure the quality of silicon and silicon wafers. The authors discuss the use of an inexpensive, lab-based system to measure carbon and oxygen concentrations in silicon to the level of precision required by the solar silicon industry.
The Waters Centre for BioMedical Mass Spectrometry at the University of Warwick
Waters Corporation (Milford, Massachusetts) and the University of Warwick, Coventry and Warwickshire, England, signed a collaborative research agreement intended to support the growth, development and adoption of novel mass spectrometry (MS) technologies.
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Infrared Spectroscopy
Application of Infrared Spectroscopy for the Prediction of Color Components of Red Wines
A review of the application of IR spectroscopy for the analysis of color components in winemaking, and the contribution of spectral preprocessing to improve the multivariate calibration.
Nanoscale IR Spectroscopy: AFM-IR — A New Technique
By combining atomic force microscopy (AFM) and infrared (IR) spectroscopy, one can attain spatial resolution improvements of two orders of magnitude over traditional IR spectroscopy.
Classical Least Squares, Part VIII: Comparison of CLS Values with Known Values
The series on classical least squares continues with a comparison of experimental results and theoretical expectations.
Analytical Vibrational Spectroscopy - NIR, IR, and Raman
How can you navigate the maze of choices for detecting molecular vibrations with mid-infrared (IR), near IR (NIR), and visible (Raman)? Understanding what is being measured, how it is measured, and the advantages and disadvantages of each technique, will help.
Classical Least Squares, Part VII Spectral Reconstruction of Mixtures
Continued discussion of the classical least squares approach to calibration, with a focus on the reconstruction of mixtures
Scattering Impact Analysis and Correction for Leaf Biochemical Parameter Estimation Using Vis–NIR Spectroscopy
Simulated leaf spectral data were generated to analyze scattering impact and then compared to experimental data to validate the conclusions of the simulation.
Optimizing FT-IR Sampling for a Method to 30 Determine the Chemical Composition of Microbial Materials
Algae and other aquatic species are promising sources for biomass that can be economically converted into fuel, and several infrared sampling techniques can be used to analyze these samples.
Pittcon 2011 New Product Review
Our yearly review of the hottest products at Pittcon
Classical Least Squares, Part V: Experimental Results
In the last four columns we described the theory of what should happen when we perform classical least squares calculations on mixtures when Beer's law applies. In this column we take our first look at what actually does happen.
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Instrumentation
Portable FT-IR and Raman Spectroscopy for Explosives Identification
This article discusses instruments that can be used in the field to rapidly and accurately identify various explosives and their precursors.
Market Profile: Handheld and Portable FT-IR
The handheld and portable Fourier-transform infrared (FT-IR) market is a very new and rapidly growing market thanks to the intersection of technological advancements and new demand. Relative to other portable analytical technologies, the range of applications for the technology is more diverse. Despite the rapid growth and potential for this market, however, only a handful of competitors currently dominate the market.
Market Profile: Portable Mass Spectrometers
The concept of portable mass spectrometry has been around for some time, but the realization of such technology has been largely limited until very recently. More than ever before, recent technological advances now make smaller, lighter, and more effective mass spectrometers possible. Such advances will lend themselves to a growing spectrum of applications as well.
Pittcon 2009 New Product Review
Spectroscopy columnist Howard Mark takes a comprehensive look at the products that were introduced at Pittcon 2009 in Chicago.
Think Small Revisited: Handheld Spectroscopy
Guest author John Coates describes handheld measurements performed using a palm-sized device that can be used either as an open-ended spectrometer or as a dedicated analyzer.
Modulators
Some types of spectroscopy work better if the intensity of the light source increases and decreases in a regular pattern. Such a varying signal is called modulated, and here, the author explores the devices that perform this function.
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Lasers
Current Status of Standoff LIBS Security Applications at the United States Army Research Laboratory
The United States Army Research Laboratory (ARL) has been applying standoff laser-induced breakdown spectroscopy (LIBS) to hazardous material detection and determination. We describe several standoff systems that have been developed by ARL and provide a brief overview of standoff LIBS progress at ARL. We also present some current standoff LIBS results from explosive residues on organic substrates and biomaterials from different growth media. These new preliminary results demonstrate that standoff LIBS has the potential to discriminate hazardous materials in more complex backgrounds.
Terahertz Pulsed Imaging for Nondestructive Testing of Pharmaceutical Products
In this column, Guest Columnist Philip Taday explores the use of terahertz spectroscopy for tablet coating analysis.
Technology Forum: Optics and Lasers
This month's Technology Forum looks at the topic of optics and lasers and the trends and issues surrounding it. Joining us for this discussion are Rob Morris, Director of Marketing, Ocean Optics, Inc.; and Phil Taday, Applications Group Leader, fromTeraView Limited.
Market Profile: Laser Ellipsometry
Ellipsometry is the analysis of the change in the state of polarized light after it has reflected from the surface of a thin film sample.
Market Profile: Laser Ellipsometry
Ellipsometry is the analysis of the change in the state of polarized light after it has reflected from the surface of a thin film sample. Laser ellipsometry, which has certain advantages and disadvantages, is a subset of this market. Applications for laser ellipsometry prinarily are related to the semiconductor and electronics industry, but its use in the life sciences could offer significant new demand.
Lasers Reveal Shrinking Ice Sheets
Data from NASA's high-resolution ICESat lasers indicate that ice sheets in Greenland and western Antarctica are melting faster than scientists thought.
Laser-Induced Breakdown Spectroscopy for Analysis of Aerosol Particles: The Path Toward Quantitative Analysis
The author discusses the evolution of thought with regard to LIBS-based analysis of aerosol systems and provides insight into future research directions.
Wavelength Tech Forum: Optics/Lasers
This month's Technology Forum looks at the topic of optics and lasers and the trends and issues surrounding them. Joining us for this discussion are Rob Morris, with Ocean Optics, Sergey Mirov, with University of Alabama at Birmingham, Dan Merdes, with Penn State University, and Tim Kane, with Penn State University.
The Investigation of Laser-Induced Breakdown Spectroscopy for Detection of Biological Contaminants on Surfaces
The potential utility of laser-induced breakdown spectroscopy (LIBS) as a means to detect biological contaminants on painted surfaces is investigated.
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Light-Scattering Detection
Examining Molecular Orientation Using ATR Spectroscopy
Analysis of Fructose, Glycine, and Triglycine Using HPLC UV-vis Detection and Evaporative Light-Scattering Detection
The development of a method for the simultaneous determination of glycine, triglycine and fructose using UV–vis and evaporative light-scattering detection (ELSD) is described. This was necessary as part of a research project dealing with the recovery of functional peptides from aqueous streams on an industrial scale using adsorption or related technologies. Fructose is barely detectable by UV–vis as it lacks detectable functionalities, while glycine and triglycine are both UV–vis sensitive. An NH2 phase was chosen as a column and separation was obtained within seven minutes on a 250 X 4.6 mm column. Limits of detection are approximately 40 mg fructose/L, 4 mg glycine/L and 0.05 mg triglycine/L. Calibration functions are linear in a range of 40–1400 mg/L for fructose, 5–200 mg/L for glycine and 0.5–70 mg/L for triglycine.
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Magnetic Resonance/NMR
Market Profile: NMR Probes
One of the most critical components to the performance of any high-field nuclear magnetic resonance (NMR) system is the NMR probe. The probe is where all of the action happens within an NMR system, and they are offered in a wide variety of sizes and configurations for different applications. The aftermarket for NMR probes, alone, is quite a sizeable market, and will continue to be a major driver of the market.
Petrochemical Product and Process Control Using Rapid TD-NMR Technology
TD-NMR (Time-Domain Nuclear Magnetic Resonance) is a powerful tool for the petrochemical industry, from exploration to refining, that examines materials at the molecular level to quantify physicochemical properties.
High-Throughput Push-Button NMR in Fruit Juice Quality Control Using
Market Profile: Low-Field and Fixed Magnet NMR
The high-flying field of nuclear magnetic resonance (NMR), which is continuing to see strong growth as it approaches the $1 billion mark in annual market revenues, overshadows the market for low-field and fixed magnet NMR. These systems are far simpler and less expensive than the larger systems many have come to think of when they hear the term NMR. The range of applications for low-field and fixed magnet NMR is vast, which is contributing to strong growth in demand.
Fully Integrated Analysis of Metabolites, Impurities, andDegradants Using LC–NMR–MS
Combining the three techniques of LC, MS, and NMR into one integrated system provides optimal use of NMR intrument time by using information-rich MS data to automatically guide the NMR operation. Here, the authors explore just this type of system.
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Market Profile Column
Market Profile: Portable Raman Spectroscopy
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.
Market Profile: Benchtop NMR for Agriculture and Food Applications
People most often think of gargantuan systems that cost millions of dollars when someone mentions nuclear magnetic resonance (NMR) spectroscopy.
Market Profile: Raman Imaging
One of the driving subsegments of the Raman spectroscopy market is Raman imaging. The speed and chemical information that imaging provides is helping the technique steadily replace conventional Raman microscopy.
Terahertz Spectroscopy
One of the newest and fastest-growing subsegments of the molecular spectroscopy market is terahertz spectroscopy. It makes use of a previously underused segment of the electromagnetic spectrum and is already seeing demand from a variety of industries. Although it remains unclear which industries will become major adopters of the technology, it looks certain that terahertz spectroscopy will develop into a major segment of the molecular spectroscopy market.
Market Profile: Fluorescence Correlation Spectroscopy
Fluorescence correlation spectroscopy (FCS) is a relatively new and advanced subsegment of the fluorescence spectroscopy market. FCS can provide a wealth of very specific physiochemical information that is most useful to those in biology and related sectors.
Environmental Market for UV-vis
UV-vis spectroscopy, which includes photometers and turbidimeters, provides a simple method for addressing a wide range of basic water analysis parameters that are crucial to environmental analysis. The environmental market for UV and visible spectroscopy techniques accounts for close to 30% of the entire laboratory and portable UV?vis spectroscopy market.
Market Profile: Spectroscopic Ellipsometry
Ellipsometry is a spectroscopic technique used to measure dielectric properties of thin films. Spectroscopic ellipsometry (SE), which is the largest subset of the technique, is a very useful research tool, and is a popular analytical tool in many fast-growing industries. The market for SE is currently in the midst of a very strong upswing in demand.
Market Profile: Handheld and Portable FT-IR
Major technological advances have allowed the market for handheld and portable Fourier-transform infrared (FT-IR) spectroscopy to develop almost overnight. Demand from a variety of industries and applications is continuing to take shape, and many major vendors in the market have taken note and made sure to grab themselves a major stake in this fast growing area.
Market Profile: Process FT-NIR for PAT in Pharma and Biopharma
Fourier-transform near-infrared (FT-NIR) spectroscopy continues to be a rapidly growing process analytical technique, particularly in the pharmaceutical and biopharmaceutical industry. The technique offers a number of advantages for online applications, and most of the major NIR instrument vendors now compete in this segment of the market.
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Mass Spectrometry
The Use of Mass-Spectrometry-Based Proteomics for Reliable Detection and Identification of Pathogens as Illustrated by the Study of Bee Colony Collapse Disorder
A study of colony collapse disorder in honey bees illustrates how mass spectrometry–based proteomics techniques can be used to to identify pathogens without any prior knowledge of what is contained in the sample.
Accurate Mass: Why It's the Best Solution for Metabolite Identification in Discovery, Development, and Clinical Applications
Accurate-mass approaches offer a significant advance over nominal-mass approaches in the arena of qualitative analysis, and some of the analytical approaches can now be conducted in a relatively routine manner.
Organic Secondary Ion Mass Spectrometry
Ionization strategies and themes first developed in organic secondary ion mass spectrometry underlie many modern MS methods. Here's how it works.
Advanced Analysis of Allergens in Foods: LC–MS-MS Methodologies and Future Insights
An update on the sample preparation and LC–MS-MS tools available for allergen detection, as well advantages of those techniques.
High-Throughput Screening of Abused Steroids in Urine Using Direct TOF-MS and LC–High-Resolution TOF-MS with Comprehensive Ion Fragmentation
A proof-of-concept application for detecting abused steroids in urine samples collected from an antidoping surveillance program
Identification of Novel Psychoactive Substances Using Hyphenated Mass Spectrometric Techniques
Gas chromatography–mass spectrometry (GC–MS) and liquid chromatography–mass spectrometry (LC–MS) techniques offer advantages in separating and confirming the identity of constituents in novel psychoactive substances.
Managing Mass Spectrometric Data
Aspects of integrated data management specifically for mass spectrometric data are explored, including spectral dataset size, laboratory documents, and requirements for archiving and sharing research data.
Detecting Ions in Mass Spectrometers with the Faraday Cup
The Faraday cup has been associated with mass spectrometry since the first instruments were assembled and continues to be used today. Here's how it works.
On- and Off-Line Coupling of Separation Techniques to Ambient Ionization Mass Spectrometry
A review highlighting the combination, or potential combination, of various separation methods with ambient ionization mass spectrometry
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Mass Spectrometry Forum Column
Organic Secondary Ion Mass Spectrometry
Ionization strategies and themes first developed in organic secondary ion mass spectrometry underlie many modern MS methods. Here's how it works.
Managing Mass Spectrometric Data
Aspects of integrated data management specifically for mass spectrometric data are explored, including spectral dataset size, laboratory documents, and requirements for archiving and sharing research data.
Detecting Ions in Mass Spectrometers with the Faraday Cup
The Faraday cup has been associated with mass spectrometry since the first instruments were assembled and continues to be used today. Here's how it works.
Consequences of Finite Ion Lifetimes in Mass Spectrometry
Consequences of Finite Ion Lifetimes in Mass Spectrometry As we construct more-complex instruments that process packets of ions in time and space, the issue of ion lifetimes is becoming more important.
Mass Spectrometry for First Responders
Mass spectrometry is now among the tools used by first responders to identify potential threats, but there are challenges involved, including interpreting results and ensuring data relevance.
Hybrid Mass Spectrometers
Analyses performed with hybrid mass spectrometers yield large volumes of complex data at high speeds and resolution.
Underwater Mass Spectrometry
This month's column describes the use of mass spectrometers in submarines and their more recent use for direct sampling of compounds dissolved in water at ever-increasing depths.
Ion Burn and the Dirt of Mass Spectrometry
Ken Busch explores the dirt of mass spectrometry ? its origins and its visible consequences in a deposit on metal surfaces called ion burn.
Mass Spectrometry–Mass Spectrometry Retrospective
Ken Busch presents a retrospective overview of more than 40 years of mass spectrometry-mass spectrometry (MS-MS) research.
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Molecular Spectroscopy Workbench Column
Raman Crystallography
Polarization/orientation micro-Raman spectroscopy promises to be an important analytical tool to complement micro-X-ray diffraction.
The Contribution of Raman Microscopy to the Characterization of Nanomaterials
Raman has a unique capability to characterize nanoscale materials that are between crystalline and amorphous.
Analytical Vibrational Spectroscopy - NIR, IR, and Raman
How can you navigate the maze of choices for detecting molecular vibrations with mid-infrared (IR), near IR (NIR), and visible (Raman)? Understanding what is being measured, how it is measured, and the advantages and disadvantages of each technique, will help.
Entering Raman's Realm
Raman spectroscopy can be used to measure the vibrational spectra of both organic and inorganic materials.
Graphene: Why the Nobel Prize and Why Raman?
Graphene has potential applications ranging from computer monitors to solar cells, and Raman spectroscopy is a useful method for its characterization.
Thoughts About ICORS 2010 and Where Raman Spectroscopy Is Headed
Fran Adar examines the program at ICORS 2010, providing a sense of how applications and instrumentation are driving each other in the field of Raman research.
Depth Resolution of the Raman Microscope: Optical Limitations and Sample Characteristics
The experimental determination of the depth resolution of a Raman microscope is described.
Analysis of Lignin and Cellulose in Biological Energy Sources by Raman Microscopy
Cellulosic feedstocks from biological harvests (such as timber, prairie grass, and corn stover) or industrial–urban waste have been proposed as a source for the production of energy in the form of fermentation-produced ethanol biofuel.
Raman Spectroscopy for Biomedical Applications
In this column, Fran Adar discusses what progress is being made in the application of Raman spectroscopy to studies of disease states and why it is worth the effort to pursue.
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Near-IR Spectroscopy
Miniature Optical Spectrometers: The Art of the Possible, Part IV: New Near-Infrared Technologies and Spectrometers
Part II of this series described many of the miniature optical technologies that were developed as a result of the telecommunications boom, and Part III covered conventional small near-infrared (NIR) spectrometers. Here, in Part IV, we bring those themes together and see how the massive investment in telecommunications, microelectro- mechanical systems (MEMS), and micro-opto-electro-mechanical (MOEMS) is starting to impact NIR spectroscopy.
NIR Spectroscopy -- A Noninvasive Mind-Reader?
Canadian researchers at the Bloorview Research Institute (Toronto, ON, Canada) and the University of Toronto have developed a way to use optical imaging to decode preference by measuring the intensity of near-infrared light absorbed in brain tissue.
Hubble Finds Hidden Exoplanet
Using a powerful new image-processing technique, researchers at the University of Toronto (Ontario, Canada) have identified an exoplanet in images taken in 1998 with the Hubble Space Telescope's Near-Infrared Camera and Multi-Object Spectrometer (NICMOS).
Mind-Controlled Robots Using NIR Spectroscopy
Japan's Honda Research Institute and precision-equipment manufacturer Shimadzu recently demonstrated a technology that allows humans to control a robot through thought alone.
Forensic Application of Near-Infrared Spectroscopy: Aging of Bloodstains
The authors discuss the use of near-infrared spectroscopy to determine the age of a bloodstain, which can be critical in helping establish when a crime was committed.
Miniature Optical Spectrometers, Part III: Conventional and Laboratory Near-Infrared Spectrometers
In Part I of this series, we examined recently developed miniature mid-infrared spectrometers (1). In Part II, we surveyed micro electro mechanical systems (MEMS), micro-opto-electro-mechanical systems (MOEMS), and some of the photonics technologies developed for optical communications (2). Here, in Part III, we summarize some of the conventional approaches to miniaturizing near-infrared (NIR) spectrometers, and in Part IV, we will bring these themes together and see how MOEMS and telecommunications photonics are poised to revolutionize NIR spectroscopy with a new generation of miniature instruments.
Extending the Range of MCT Focal Plane Arrays-Based Imaging Systems to Near IR Imaging Applications
Miniature NIR Spectrometers: Designed for Harsh Environments
Scattering Impact Analysis and Correction for Leaf Biochemical Parameter Estimation Using Vis–NIR Spectroscopy
Simulated leaf spectral data were generated to analyze scattering impact and then compared to experimental data to validate the conclusions of the simulation.
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New Techniques
Rapid Field Detection of Chemical Warfare Agents and Toxic Industrial Chemicals Using a Hand-Portable GC–TMS System
In this article, methods developed for rapid, automated detection of CWAs and TICs using a low thermal mass capillary gas chromatograph coupled to a toroidal ion trap mass spectrometer (TMS) are presented.
Portable FT-IR and Raman Spectroscopy for Explosives Identification
This article discusses instruments that can be used in the field to rapidly and accurately identify various explosives and their precursors.
Chemical Warfare Agents and Use of Thermal Desorption–GC–MS to Achieve Improved Trace-Level Detection
This article discusses the analysis of a wide range of CWAs at current exposure limits and describes a number of recent beneficial developments in TD and associated analytical technologies for the identification and quantification of CWAs at these levels.
Single-Particle Spectroscopy on Conducting Polymer-Fullerene Composite Materials for Application in Organic Photovoltaic Devices
The study of the photophysical and optoelectronic properties of a functioning conducting polymer device is complicated and is hampered by the complex nanostructure and morphology of the conducting polymer materials in these devices. Here we discuss an approach to investigate this issue in terms of bulk-heterojunction organic photovoltaic devices.
Analysis of Solar Silicon Using High-Throughput Spectroscopy
Infrared spectroscopy is a powerful analysis technique used in the semiconductor industry to ensure the quality of silicon and silicon wafers. The authors discuss the use of an inexpensive, lab-based system to measure carbon and oxygen concentrations in silicon to the level of precision required by the solar silicon industry.
New Technique for Detection of Carbon Nanotubes in the Body
New research being conducted at the University of Arkansas is demonstrating that Raman spectroscopy can be used to detect and monitor circulating carbon nanotubes in vivo and in real time.
Acronyms in Mass Spectrometry
The list of acronyms in mass spectrometry published regularly here reflects the writings and conversations of mass spectrometrists, who use a variety of acronyms to describe particular experiments or applications. New applications, with new audiences, bring new technical jargon.
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Optics
Can You See Me Now?
Researchers at the Massachusetts Institute of Technology have developed light-detecting fibers that act like a flexible camera when woven into a web.
Terahertz Pulsed Imaging for Nondestructive Testing of Pharmaceutical Products
In this column, Guest Columnist Philip Taday explores the use of terahertz spectroscopy for tablet coating analysis.
How Will Distributed Sensing Inspire Changes in Optical-Sensing R&D?
Improvements in engineering and manufacturing processes and tools have rapidly lowered the cost to make products, and to distribute them. The next generation of optical sensing technologies will offer a framework for the creation and testing of new business models based upon the distribution of knowledge and service. In fact, this concept of "distributed sensing" already has emerged in networked systems monitoring various aspects of the environment.
Technology Forum: Optics and Lasers
This month's Technology Forum looks at the topic of optics and lasers and the trends and issues surrounding it. Joining us for this discussion are Rob Morris, Director of Marketing, Ocean Optics, Inc.; and Phil Taday, Applications Group Leader, fromTeraView Limited.
Prisms
A prism is an optical component that serves one of two major functions: it disperses light, or it modifies the direction (and sometimes polarization) of light. In some cases, a prism has more than one function, and they are discussed here.
Advantages of High OD Filters to Microscopy
The author discusses the use of filters in optical microscopy and the advantages that have been gained as a result of developments in filter technology.
Lenses
In the last installment of this column, I discussed prisms. In this installment, we will consider their curved cousins.
A Look into Deep Space
Chinese scientists have built the world's most powerful optical telescope in a research base of the National Astronomical Observatories, Chinese Academy of Sciences (NAOC) near Beijing, expecting to unravel the mysteries of the universe.
Wavelength Tech Forum: Optics/Lasers
This month's Technology Forum looks at the topic of optics and lasers and the trends and issues surrounding them. Joining us for this discussion are Rob Morris, with Ocean Optics, Sergey Mirov, with University of Alabama at Birmingham, Dan Merdes, with Penn State University, and Tim Kane, with Penn State University.
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Pharmaceutical Applications
Rapid Identification of Illicit and Prescription Drugs Using FT-NIR Spectroscopy
The authors discuss the use of FT-NIR to identify several different types of drug formulations.
Synthesis and Structural Elucidation of Impurities in Ramipril Tablets
In this article, the authors take a look at the identification, synthesis, and characterization of impurities in Ramipril tablets.
Detection and Sourcing of Counterfeit Pharmaceutical Products and Consumer Goods
The authors discuss the use of vibrational spectroscopy to differentiate an authentic article from a counterfeit one throughout a product's lifecycle, from component receipt at the site of manufacture, to product receipt by the end user.
Dosing Vehicle Removal in Discovery Phase Pharmacokinetic Studies Using High-Field Asymmetric Waveform Ion Mobility Spectrometry
This article describes the ability to increase the sensitivity for a target compound in the presence of high-level background impurities by removing the dosing vehicle using a high-field asymmetric waveform ion mobility spectrometry gas-phase separation before mass spectrometry analysis.
ICP-MS Speciation Analysis: Three Roles of Selenium
The element selenium plays three distinct roles in biological processes, functioning in turn as a toxicant, a chemopreventive agent, and a heavy metal antagonist. This article discusses current research associated with each role, and how ICP-MS can be employed to better understand and utilize selenium's properties.
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Process Control and Analysis
The Use of Process Analytical Technology in Biofuels Production
Biofuels such as biodiesel and bioethanol are now the main alternatives to fossil fuels in one of the most pollutant human activities: transportation. The authors report on the use of process analytical technology for mapping raw materials, fingerprinting process trajectories, and calibrating for the most important quality specifications, both for individual chemical and physical attributes or for combined quality attributes, thusleading to more consistent and economically viable processes.
Process Monitoring: In-line, At-line, or Slip-stream?
As process analytical technology (PAT) moves out of the laboratory and into the plant and to the process stream itself, the question arises, "What is the best way to collect data from stream samples?" The author shows that this depends upon both the nature of the stream and the components to be measured.
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Product News
Product Resources
Product Resources
Products
Products
VWR, PerkinElmer Expand Chromatography, Spectroscopy Products Deal
PerkinElmer announced that it has signed a new distribution agreement with VWR International.
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Quality Control/Assurance
USP <1058> Analytical Instrument Qualification and the Laboratory Impact
In this column, Bob McDowall discusses the impact of USP general chapter 1058 on the spectroscopy laboratory.
Terahertz Waves for Quality Control
Researchers at the National Institute of Standards and Technology (NIST) have created a technique that uses terahertz waves to measure structural properties in integrated circuits.
Meeting Quality Control Requirements in the Routine Inorganic Laboratory
PerkinElmer, Inc.
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Raman Spectroscopy
Quantitative Analysis of Crystal Violet by Raman Spectroscopy
A quick and accurate method for detecting the antifungal agent crystal violet in aquaculture.
Raman Crystallography
Polarization/orientation micro-Raman spectroscopy promises to be an important analytical tool to complement micro-X-ray diffraction.
The Contribution of Raman Microscopy to the Characterization of Nanomaterials
Raman has a unique capability to characterize nanoscale materials that are between crystalline and amorphous.
Confocal Raman Microscopy in Forensic Pharmaceutical Investigations
Confocal Raman microscopy can identify particles in the 5–50 ?m range and can bridge the gap between micro-FT-IR and SEM-EDS analyses.
Improved Principal Component Discrimination of Commercial Inks Using Surface-Enhanced Resonant Raman Scattering
In the three decades since its discovery, surface-enhanced Raman scattering (SERS) has been used in numerous applications to increase signal intensity in Raman scattering experiments. The current study provides insight into the more practical aspects of enhanced Raman sampling for laboratory users. We describe how the signal enhancement from a surface-enhanced resonant Raman scattering (SERRS) process improves the ability to discriminate between ink samples using principal component clustering.
Raman Thermometry of Microdevices: Comparing Methods to Minimize Error
Temperature measurements can be made using spectral features such as the position, linewidth, and intensity of the Raman signal associated with specific optical phonon modes. Each of these spectral characteristics offers particular advantages, depending on the type of device and operational considerations.
Raman Spectroscopy of Carbonaceous Materials: A Concise Review
A critical review focused on the Raman spectroscopy of carbonaceous materials and of polymer-based nanocomposites that contain carbonaceous (nano) materials as fillers
Improved Principal Component Discrimination of Commercial Inks Using Surface-Enhanced Resonant Raman Scattering
In the three decades since its discovery, surface-enhanced Raman scattering (SERS) has been used in numerous applications to increase signal intensity in Raman scattering experiments. The current study provides insight into the more practical aspects of enhanced Raman sampling for laboratory users.
Analytical Vibrational Spectroscopy - NIR, IR, and Raman
How can you navigate the maze of choices for detecting molecular vibrations with mid-infrared (IR), near IR (NIR), and visible (Raman)? Understanding what is being measured, how it is measured, and the advantages and disadvantages of each technique, will help.
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Regulatory Issues
USP <1058> Analytical Instrument Qualification and the Laboratory Impact
In this column, Bob McDowall discusses the impact of USP general chapter 1058 on the spectroscopy laboratory.
Validation of Spectrometry Software: The Proactive Use of a Traceability Matrix in Spectrometry Software Validation, Part I: Principles
Tracing requirements from a user requirements specification throughout the life cycle is not only a very effective business tool to save time and effort in validation projects but also a regulatory expectation. This first installment of a two-part column series looks at the principles of a traceability matrix.
Meeting Requirements of the EPA Contract Laboratory Program ILM05.3 Using Inductively Coupled Plasma-Mass Spectrometry: An Update
This report demonstrates that it is possible to meet and exceed EPA "statement of work" requirements using ICP-MS.
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Spectrochemistry
The Chemical Analysis Process
The authors present an overview of the chemical analysis process.
The Laws of Spectrochemistry
In this article, the authors discuss the basic premises that underlie the science of spectrochemistry, which has been humorously referred to as a "black art" by some.
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Spectroscopy Web Seminar Update
Spectroscopy Begins Offering New Web Seminars
Press Release Announing the Addition of the New Spectroscopy Web Seminars
Spectroscopy Web Seminars
Test
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Statistical Analysis
Interelement Corrections in Spectrochemistry
This tutorial reviews the mathematical models for dealing with interelement effects in optical emission and X-ray fluorescence spectrochemical analysis. Line overlaps and matrix effect corrections are examined.
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TOF-MS
Market Profile: MALDI Imaging
The adoption of MALDI-TOF mass spectrometry for imaging applications is a major recent development in the market. Applications lie squarely in the life sciences area, being primarily in histopathology. The market for MALDI imaging products already accounts for a significant and rapidly growing portion of the aftermarket for MALDI-TOF mass spectrometry.
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Technology Forum Column
Technology Forum: Raman
Raman spectroscopy offers is a non-destructive technique that requires little or no sample preparation. Participants in this forum are Tom Tague, of Bruker Optics, and Robert Chimenti, of B&W Tek.
Mass Spectrometry
The power and versatility of mass spectrometry (MS) make it an analytical technique of choice in the laboratory. Participants in this Technology Forum are Kevin A. Schug of the University of Texas at Arlington and Michael P. Balogh of Waters Corporation.
NIR Technology Forum
Near-infrared (NIR) spectroscopy is used in various application areas, including pharmaceutical analysis, medical diagnostics, and food and agrochemical analysis. Participants in this Technology Forum are Edwin Weusthof of Avantes BV, John Richmond of Bruker Optics, and Yvette Mattley of Ocean Optics.
Raman Spectroscopy
Raman spectroscopy has been put to good use in applications such as nanomaterials development as well as in quality control laboratories.
X-ray Fluorescence: Simplified Instrument Operation Brings Opportunities in Industry, and a Need for Education
Industrial use of X-ray fluorescence (XRF) is on the rise, often involving workers who are not spectroscopists. This brings advantages, as well as a need for more XRF training.
Laser-Induced Breakdown Spectroscopy
Laser-induced breakdown spectroscopy (LIBS) has been used for real-world applications ranging from mining sample analysis to threat analysis to industrial process control. Participants in this Technology Forum are Benjamin W. Smith of the University of Florida, Andrzej Miziolek of the US Army Research Laboratory, and Steve Buckley of Photon Machines, Inc.
Lasers and Photonics
Lasers are becoming of increasing importance in many spectroscopic techniques, including Raman spectroscopy, laser-induced breakdown spectroscopy, and terahertz spectroscopy. Participants in this Technology Forum are Naoto Akikusa of Hamamatsu Photonics K.K. and Richard. C. (Dick) Wieboldt of Thermo Fisher Scientific.
FT-IR Spectroscopy
FT-IR spectroscopy is an important tool in the analytical laboratory, and its use has been extended by the advent of portable instruments for field operation. Participants in this Technology Forum include Richared Larsen of Jasco, Inc., Sharon Palmer and Jerry Sellors of PerkinElmer, and Simon Nunn of Thermo Fisher Scientific.
ICP-MS
This month, Spectroscopy's Wavelength Tech Forum looks at the topic of ICP and the trends and issues surrounding it. Joining us for this discussion are Shona McSheehy, Thermo Fisher Scientific, and Dr. Laszlo Ernyei, Senior Chemist/ Spectroscopist, SPEX CertiPrep.
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The Baseline Column
Maxwell's Equations, Part VI
Results are generalized from the last installment and considerations are made for how it applies to one of Maxwell's equations.
Maxwell's Equations, Part V
Here, we continue the discussion of electromagnetism and Maxwell's second equation.
Maxwell's Equations, Part IV
A discussion of magnetism, leading into Maxwell's second equation
Maxwell's Equations, Part III
Here's the fundamental calculus you need to understand Maxwell's first equation
Maxwell's Equations, Part II
In the realm of classical physics, Maxwell's equations still rule, just as Newton's equations of motion rule under normal conditions.
Little Points of Light
Virtually everything we know about stars is based on spectroscopy, including what we know about magnitude, red shift, and why the night sky is dark.
Neutron Spectroscopy
Not all spectroscopy uses light . . .
Group Theory and Symmetry, Part IV: Great or Grand, We've Got GOT
Here, we continue our treatment of symmetry and group theory by introducing a very useful mathematical tool in group theory. It has two names in common use, but thankfully they both have the same acronym: GOT.
Happy Sesquicentennial, Spectroscopy!
David Ball celebrates the 150th birthday of spectroscopy.
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UV
Scattering Impact Analysis and Correction for Leaf Biochemical Parameter Estimation Using Vis–NIR Spectroscopy
Simulated leaf spectral data were generated to analyze scattering impact and then compared to experimental data to validate the conclusions of the simulation.
Pittcon 2011 New Product Review
Our yearly review of the hottest products at Pittcon
An Integration of Modified Uninformative Variable Elimination and Wavelet Packet Transform for Variable Selection
The wavelet packet transform (WPT) combined with the modified uninformative variable elimination (MUVE) method (WPT–MUVE) is proposed to select variables for multivariate calibration of spectral data.
Spectroscopy in Space: Hubble and the Cosmic Origins Spectrograph
In an upcoming spacewalk, shuttle astronauts will swap the Corrective Optics Space Telescope Axial Replacement (COSTAR) device for the new Cosmic Origins Spectrograph (COS).
UV-Vis Diffuse Reflectance of Thermochromic Materials Including Color-Changing Paint
Some powders and rough surfaced solids change color as a function of temperature, a phenomenon known as thermochromism. Such phenomena can be effectively studied by UV-Visible spectroscopy in combination with a diffuse reflection accessory equipped with temperature-controlled reaction chamber, as demonstrated here with a thermal paint.
Liquid Matrices for Analyses by UV-MALDI Mass Spectrometry
Data are presented for a pH-adjustable liquid UV-matrix-assisted laser desorption ionization (MALDI) matrix for mass spectrometry analysis. The liquid matrix system possesses high analytical sensitivity within the same order of magnitude as that achievable by the commonly used solid UV-MALDI matrices but with improved spot homogeneity and reproducibility. The pH of the matrix has been adjusted, achieving an on-target pH range of 3.5?8.6, which has allowed for the performance of a tryptic digest within the diluted pH-optimized liquid matrix.
Market Profile: UV/Vis/NIR
While the overall laboratory UV and Visible spectroscopy market was worth well over $700 million in 2007, the UV/Vis/NIR segment represented less than 10% of it. UV/Vis/NIR instruments utilize multiple detectors to cover a broader spectrum of analysis, and typically are among the highest-end systems in the UV-Vis market.
Improved Performance and Functionality in UV-Visible Measurements
Ultraviolet Signals in Blue Tits
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Vibrational Spectroscopy
Detection and Sourcing of Counterfeit Pharmaceutical Products and Consumer Goods
The authors discuss the use of vibrational spectroscopy to differentiate an authentic article from a counterfeit one throughout a product's lifecycle, from component receipt at the site of manufacture, to product receipt by the end user.
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X-Ray Spectroscopy
X-ray Analysis Goes to Mars
This November, NASA's Mars Science Laboratory will be launched on a mission to Mars that will deploy a new rover, called "Curiosity." Curiosity will include several analytical instruments, including "CheMin," which uses X-ray diffraction (XRD) and also has limited X-ray fluorescence (XRF) capabilities.
DXC 2011: Celebrating 60 Years of Covering Applications of 45 X-ray Analysis
Here's a preview what you'll hear at the Denver X-ray Conference.
The Dynamic World of X-ray Fluorescence
From the field to the synchrotron, XRF is expanding its power and scope.
Pittcon 2011 New Product Review
Our yearly review of the hottest products at Pittcon
Total Reflectance X-Ray Fluorescence Spectroscopy
X-ray fluorescence spectroscopy (XRF) provides sensitive analysis of the atomic composition of samples. The technique is particularly well-suited for analyzing the elemental range from sodium to uranium, which covers the majority of the metallic elements.
Analysis of Air Filters According to EPA Method IO-3.3
The measurement of the elemental composition of suspended particulate matter (SPM) in air is a key factor in understanding the health effects of pollution.
Wilhelm Conrad Röntgen and the Discovery of X-Rays
Volker Thomsen takes a look at the impact that the discovery of X-rays by Wilhelm Röntgen in 1895 has had on the world.
The Chemical Analysis Process
The authors present an overview of the chemical analysis process.
Market Profile: Cement Analysis by XRF
X-ray fluorescence spectroscopy (XRF) is one of the primary analytical tools used in the cement industry for a variety of related applications. The principle of XRF is relatively simple; a source directs X-rays onto the atoms of the sample, ejecting electrons from the inner electron shells.
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Headlines from LCGC North America and Chromatography Online
Bioanalysis Technology Forum
PSS NA - Molar mass determination of gelatins
Linde EU - Hydrogen as an alternative to Helium for gas chromatography
Regulated Bioanalysis Using High Resolution LC-MS: Headache or Opportunity?
Biomarkers of Drug Efficacy and Toxicity: Novel MS Approaches
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