Interview of the Month

Diagnosing Disease with Raman Spectroscopy

Vibrational spectroscopic techniques such as Raman spectroscopy have taken on increasingly important roles in point-of-care testing, spectral histopathology, and rapid in vivo diagnostics. Nick Stone is a Professor of Biomedical Imaging and Biosensing at the University of Exeter, and he and his group use Raman spectroscopy for measuring changes in the molecular constituents of cells and tissues as disease develops. He recently spoke to us about this work.


Advancing the Application of NIR Spectroscopy

By Spectroscopy Editors

Although near-infrared (NIR) spectroscopy is not a particularly sensitive technique, it can be implemented with little or no sample preparation and thus is well suited to applications such as process monitoring, materials science, and medical uses. We asked a panel of experts to comment on important current applications of NIR, as well as emerging new areas of application and the challenges involved in those newer applications.

In Situ FTIR Analysis of Soils for Forensic Applications

By A.H. Jean Robertson, Angela M. Main, Lucinda J. Robinson, Lorna A. Dawson

Although handheld FT-IR spectrometers now make it possible to carry out field-based FT-IR analysis of soils at a crime scene, reliable and tested protocols are not yet available for such work. Here, we discuss sampling options and describe tests of a methodology that is being eveloped for in situ FT-IR analysis of soil samples.

Using Near-Infrared Spectroscopy to Monitor the Curing Reaction of Silicone Adhesives

By N. Pemberger, L.K.H. Bittner, C. W. Huck

Quality control of silicones used in medicinal implants is challenging, and traditional methods waste a lot of raw material. In this study, NIR spectroscopy has been used to replace the traditional rheometric measurements, with excellent results. The NIR method enables improved quality control and a more economical process.

Applications of Infrared Multiple Angle Incidence Resolution Spectrometry

By David Drapcho, Takeshi Hasegawa

Infrared multiple angle incidence resolution spectroscopy (IR MAIRS) provides a powerful new tool to determine the molecular structure and orientation in a thin film on an IR-transparent substrate. The MAIRS technique replaces a tedious, and sometimes impossible, combination of sample preparation and analysis of identical films on both transparent and reflective substrates.

Macro ATR-FT-IR Spectroscopic Imaging of Dynamic Processes

By Sergei G. Kazarian, James A. Kimber

Macro attenuated total reflection FT-IR spectroscopic imaging is a powerful and underutilized tool. This article presents an overview of approaches and opportunities for using this method to study dynamic processes such as diffusion, sorption, crystallization, and dissolution.


The Future of Raman Spectroscopy: The Role of TERS and SERS

By Spectroscopy Editors

Attend any conference covering vibrational spectroscopy, and you will likely hear numerous talks about developments in tip enhanced Raman scattering (TERS) and surface-enhanced Raman scattering (SERS). Both approaches hold exciting promise, but face significant challenges as well. We asked a panel of Raman experts about the current and future role of these two approaches.

Correlative Confocal Raman and Scanning Electron Microscopy

By WITec GmbH

RISE Microscopy is the combination of 3D confocal Raman Imaging and Scanning Electron Microscopy. This application note highlights the advantages of this combination facilitating the most in-depth chemical and ultrastructural characterization of a sample

Direct Identification of Clinically Relevant Microorganisms on Solid Culture Media by Raman Spectroscopy

By Eunah Lee, HORIBA Scientific, I. Espagnona, D. Ostrovskii, R. Mathey, M. Dupoy, P. Joly, A. Novelli-Rousseau, F. Pinston, O. Gal, F. Mallard, D. Leroux

Evaluation of the discrimination power of Raman spectroscopy in decreasing turnaround time in clinical diagnosis, when analyzing microcolonies from nine bacterial and one yeast species directly on solid culture medium after a shortened incubation time.

Statistical, Morphological, and Chemical Particle Characterization of Cellulose Nitrate Filters for QC

By Eunah Lee, HORIBA Scientific

Statistical and morphological analysis of particles on a filter has been complemented by chemical analysis based on Raman spectroscopy using the ParticleFinder tool, allowing further insight into the particle composition and its origin within a production line.

Raman Spectroscopy Applied to the Lithium-Ion Battery Analysis

By Renata Lewandowska, Miyoko Okada, Tomoko Numata, HORIBA Scientific

The application note explains how the Raman Spectroscopy can be helpful in the analysis of cathodes and anodes in Li-ion batteries.


Overview of High-Efficiency Transmission Gratings for Molecular Spectroscopy

By Thomas Rasmussen

This article provides a basic overview of the capabilities of transmission gratings optimized for molecular spectroscopy.

Scattering Impact Analysis and Correction for Leaf Biochemical Parameter Estimation Using Vis–NIR Spectroscopy

By Qianxuan Zhang, Qingbo Li, Guangjun Zhang

Simulated leaf spectral data were generated to analyze scattering impact and then compared to experimental data to validate the conclusions of the simulation.

An Integration of Modified Uninformative Variable Elimination and Wavelet Packet Transform for Variable Selection

By Di Wu, Xiaojing Chen, Yong He

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.

Analysis of Fructose, Glycine, and Triglycine Using HPLC UV-vis Detection and Evaporative Light-Scattering Detection

By A.B. de Haan, R. Wijntje, H.A.J.M. Bevers

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.

Spectroscopy in Space: Hubble and the Cosmic Origins Spectrograph

By Spectroscopy Editors

In an upcoming spacewalk, shuttle astronauts will swap the Corrective Optics Space Telescope Axial Replacement (COSTAR) device for the new Cosmic Origins Spectrograph (COS).

Peer-Reviewed Articles

Lineshapes in IR and Raman Spectroscopy: A Primer

By Michael S. Bradley, PhD

The shape of the peaks in infrared (IR) and Raman spectroscopy are often not well understood. Bandshapes largely depend on interactions between vibrating molecules and their environment. An understanding of this relationship can enhance spectral interpretation and can explain unexpected behaviors.

VT-DRIFTS Investigations of Interactions Between Benzoic Acid and Montmorillonite Clay

By Dalia K. Maraoulaite, Tara M. Nickels, Audrey L. Ingram, Robert L. White

This variable-temperature diffuse reflection infrared Fourier transform spectroscopy (VTDRIFTS) sample perturbation method is capable of providing detailed functional group–specific information regarding temperature-dependent sample composition changes. The technique is generally applicable for soil adsorbate characterization studies and, therefore, should be useful for elucidating soil transport mechanisms for selected contaminants.

Agricultural and Environmental Management with Raman Spectroscopy

By Stephanie C. Tucker, Rachel E. Kast, Kenneth V. Honn, Gregory W. Auner

Raman technologies offer promise for important areas of agricultural and environmental management, such as food safety, air emissions, water monitoring, and GMO labeling.

Application of SERS to the Determination of Butylated Hydroxyanisole in Edible and Essential Oils

By Magdalena Wrona, Jesús Salafranca, Massimiliano Rocchia, Cristina Nerín

A new method was developed for BHA determination in edible and essential oils by SERS Raman microscopy, without the need for any sample handling or pretreatment.

Molecular Characterization of Gadolinium-Doped Zinc Telluride Films by X-ray Photoelectron Spectroscopy

By Dale L. Perry, Zhixun Ma, Andrew Olson, Erik Topp

Zinc telluride films doped with gadolinium (ZnTe:Gd)—made by laser ablation and deposition—have been characterized by X-ray photoelectron spectroscopy (XPS) to determine the molecular species of the elements in the material and their presence as intentionally formed contaminants.


Peter Wentzell Receives 2015 EAS Award for Chemometrics

Peter D. Wentzell has received the 2015 Award for Outstanding Achievements in Chemometrics from the Eastern Analytical Symposium (EAS). The award was presented to Wentzell at an oral symposium at the 2015 EAS conference in Somerset, New Jersey, on November 17.

Benoît Igne Receives 2015 EAS Award for Outstanding Achievements in NIR Spectroscopy

Benoît Igne has won the Eastern Analytical Symposium’s 2015 Award for Outstanding Achievements in Near-Infrared (NIR) Spectroscopy. He was honored at an award symposium at the 2015 EAS award held in Somerset, New Jersey, on November 18.

John Reffner Receives Gold Medal Award from the New York Section of the Society for Applied Spectroscopy

John A. Reffner has been named the recipient of the 2015 Gold Medal Award from the New York section of the Society for Applied Spectroscopy. The award was presented to him at the 2015 Eastern Analytical Symposium in Somerset, New Jersey, on November 16.


Questioning the Relationship Between Analyte Ion Mass and ICP-MS Matrix Effects

By Spectroscopy Editors

New studies conducted by Shi Jiao and John Olesik at The Ohio State University have important implications for understanding the fundamental causes of matrix effects in ICP-MS, and for the choice of internal standards.

Determining Trace Elements in Edible Oils Using Inductively Coupled Plasma–Optical Emission Spectrometry

By Manuel Almeida, Karolina Carpenter

During the processing of edible oils, the analysis of trace metals, which can promote oxidation, is important. This article presents a study of metals in edible oils using radial-view ICP-OES and discusses the most suitable wavelengths, background correction, and integration times.

Sample Preparation Method for Mercury Analysis in Reagent Chemicals by ICP-OES

By Yogesh Parikh, Samantha Mahmoud, James Lallo, Huifang Lang

This study shows that a direct Au3+ and HCl sample preparation method quickly and simply allows for accurate Hg quantification by ICP-OES in a wide range of sample types.

Tandem Mass Spectrometry Improves ICP-MS Detection Limits and Accuracy for Trace Level Analysis of Titanium

By Glenn Woods, Ed McCurdy

The performance of MS-MS mode and single-quadrupole mode are compared for titanium analysis.

Tackling Unresolved Problems in ICP-MS

By Spectroscopy Editors

Inductively coupled plasma–mass spectrometry (ICP-MS) is a powerful analytical technique. But like any other analytical techniques, there are challenges involved. We recently asked ICP-MS experts what unresolved problems exist—especially with samples in complex matrices—and how ICP-MS methods or technologies can be developed to attack them.

Mass Spectrometry

Simultaneous Determination of Methylxanthines and Cotinine in Human Plasma by Solid-Phase Extraction Followed by LC–MS-MS

By Rossana Bossi, Bodil Hammer Bech

A multiresidue method has been developed and validated for the analysis of methylxanthines (caffeine and its metabolites) and cotinine in human plasma.

Large-Scale Targeted Protein Quantification Using Wide Selected-Ion Monitoring Data-Independent Acquisition

By Reiko Kiyonami, Vlad Zabrouskov, Andreas F.R. Hühmer, Sonia Ting, Michael Senko, Michael MacCoss, Jarrett Egertson

This article describes the development of a new data-independent acquisition (DIA) workflow for protein quantification that uses a mass spectrometer that combines three types of mass analyzers to achieve lower limits of detection (LOD), higher sensitivity, more accurate quantitative results, wider dynamic range, and better reproducibility than existing high-resolution accurate-mass (HRAM) tandem mass spectrometry (MS-MS) DIA workflows.

GC–MS Analysis of an Herbal Medicinal Remedy to Identify Potential Toxic Compounds

By Hang P. Nguyen, Irene W. Kimaru

In most countries, herbal medicinal products (HMPs) are introduced into the market without proper scientific evaluation or enforced safety and toxicological studies.

Application of Ambient Sampling Portable Mass Spectrometry Toward On-Site Screening of Clandestine Drug Operations

By Christopher C. Mulligan, Seth E. Hall

Worldwide trends in illicit drug use and production have shifted toward an increase in synthetic analogues and the emergence of new variations in their manufacture.

Unraveling the Links Between Diet and Human Health Using LC–MS-MS

By Spectroscopy Editors

We recently spoke to Gary Duncan and Wendy Russell of the Rowett Institute of Nutrition & Health in Aberdeen, Scotland, about the significance of phytochemical bioavailability to human health and the important role of liquid chromatography linked to tandem mass spectrometry (LC–MS-MS) in their research.

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