Spectroscopy Interviews

Understanding Molecular Interactions with Advanced FT-IR Spectroscopy and Imaging

Advanced vibrational spectroscopic techniques such as Fourier transform infrared (FT-IR) and attenuated total reflection (ATR)-FT-IR spectroscopic imaging are important tools for understanding molecular interactions and using them to help engineer new products and processes. Sergei G. Kazarian, Professor of Physical Chemistry at the Department of Chemical Engineering at Imperial College London, UK, has used these advanced imaging techniques for applications as varied as studying crude oil fouling, analyzing pharmaceutical formulations in microfluidic channels, examining biological systems and biopsy samples, and investigating the pigment-oil interaction in priceless paintings at the microscale level. We recently spoke with him about this research.

Infrared (IR)

The C=O Bond, Part IV: Acid Anhydrides

By Brian C. Smith

Acid anhydrides are unique in that they have two carbonyl groups in them. The intensity and position of their IR peaks can be used to determine which of the four types of anhydride exist in a sample.

The C=O Bond, Part III: Carboxylic Acids

By Brian C. Smith

How to spot carboxylic acids in your IR spectra

The C=O Bond, Part II: Aldehydes

By Brian C. Smith

Aldehydes feature a unique “lone hydrogen” atom, giving rise to unique C-H stretching and bending peaks, making them easy to spot. In this installment, a new feature is also presented, “IR Spectral Interpretation Review,” where key concepts from past columns are presented for those new to the column and for readers who need a refresher.

The Carbonyl Group, Part I: Introduction

By Brian C. Smith

An introduction to the IR spectroscopy of the carbonyl group, exploring why the peak is intense and showing how to apply that knowledge to the analysis of the spectra of ketones

Detecting Blood on Fabrics: Infrared Diffuse Reflectance Versus Attenuated Total Reflectance FT-IR

By Spectroscopy Editors

In forensic science, the detection of blood on fabric is a very useful tool. Therefore, it is important that the methods used for detecting blood be as accurate as possible. Michael L. Myrick and Stephen L. Morgan, both professors in the Department of Chemistry and Biochemistry at the University of South Carolina, have been investigating the use of infrared (IR) spectroscopy for this purpose, including comparing the effectiveness of infrared diffuse reflectance versus attenuated total reflectance Fourier-transform IR (ATR FT-IR). They recently spoke to Spectroscopy about their recent studies and the critical questions they have been addressing in how IR spectroscopy is used in forensic science.


Advancing Forensic Analyses with Raman Spectroscopy

By Spectroscopy Editors

Igor K. Lednev, of the Department of Chemistry at the University at Albany, the StateUniversity of New York, has been developing the use of Raman spectroscopy for a varietyof forensic applications, including determining the age of blood stains and linking gunshot residues to specific ammunition–firearm combinations.

Detecting Pathogenic Mycoplasmas with Surface-Enhanced Raman Spectroscopy

By Spectroscopy Editors

Duncan C. Krause, of the Department of Microbiology at the University of Georgia, discusses his group’s work to establish a SERS method with silver nanorod-array substrates for detecting the pathenogenic mycoplasma that causes bronchitis and pneumonia.

Understanding Emerging Biopolymers with 2D Raman Correlation Spectroscopy

By Spectroscopy Editors

Two-dimensional (2D) Raman correlation spectroscopy is a powerful analytical technique for analyzing a system under the influence of an external perturbation. Isao Noda, of the Department of Materials Science and Engineering, at the University of Delaware and Danimer Scientific, has been developing 2D Raman correlation spectroscopy and applying it to the study of various materials, including exciting new biopolymers. He recently spoke to us about this work.

Raman Microscopy Combined with Tensile Deformation for Understanding Changes in Polymer Morphology

By Fran Adar

We show Raman spectra of polymeric fibers acquired as a function of increasing stress and temperature. With knowledge of Raman band assignments, it becomes possible to understand, in detail, the molecular changes that are responsible for polymer orientation and crystallization.

In Situ Raman Spectroscopy Monitoring of the Reaction of Sulfur Trioxide with Polyethylene Fibers in Chlorinated Solvents

By Xiaoyun Chen, Jasson Patton, Bryan Barton, Jui-Ching Lin, Michael Behr, Zenon Lysenko

The apparent reaction kinetics between SO3 and polyethylene are investigated in various halogenated solvents using in situ Raman spectroscopy with an immersion Raman probe, demonstrating the power of in situ Raman spectroscopy to monitor hazardous reactions.


Overview of High-Efficiency Transmission Gratings for Molecular Spectroscopy

By Spectroscopy Editors

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 Spectroscopy Editors

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 Spectroscopy Editors

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.

Peer-Reviewed Articles

X-ray Photoelectron Spectroscopy Analysis of the Enhanced Corrosion Resistance of Thermally Oxidized Stainless Steel

By Nak-Kwan Chung

Although recent steel coating methods have demonstrated improvements in corrosion resistance, they can prove expensive and complicated. In this study, XPS analysis was used to evaluate the corrosion resistance of steel treated with an alternative technique.

Verification of Pharmaceutical Raw Materials Using FT-NIR Spectroscopy

By Ian Robertson, Jerry Sellors

FT-NIR spectroscopy can be used to overcome a range of challenges in raw material identification while also meeting the stringent requirements of regulated environments.

Morphologically Directed Raman Spectroscopic Analysis of Forensic Samples

By Brooke W. Kammrath, Andrew Koutrakos, Pauline E. Leary, Josemar Castillo, Joe Wolfgang, Deborah Huck-Jones

Can morphologically directed Raman spectroscopy obtain more discriminatory information from forensic samples than current tools?

The 2018 Emerging Leader in Atomic Spectroscopy Award

By Megan L’Heureux

John M. Cottle, the winner of Spectroscopy’s 2018 Emerging Leader in Atomic Spectroscopy Award, is a leader in the development of novel laser-ablation inductively coupled plasma–mass spectrometry measurements and their application to tectonic questions in convergent orogens. His three breakthrough measurement methods using LA-ICP-MS for geochemical data collection are breaking new ground in Earth science.


Functional Neuroimaging Techniques and Applications

Functional neuroimaging was the topic of the May 3 meeting of the New York–New Jersey Chapter of the Society for Applied Spectroscopy (NYSAS), which was held at Rutgers University in New Brunswick, New Jersey. The invited speaker was Professor Laleh Najafizadeh, who is an assistant professor and the director of the Integrated Systems and Neuroimaging Laboratory in the Department of Electrical and Computer Engineering (ECE) at Rutgers.

Approach Combining FT-IR and LA-ICP-MS Provides Improved Tissue Classification

A recent study used combined chemical analysis approach to investigate rat brains harvested one week after induction of photothrombotic stroke.

Bruker Acquires Anasys Instruments

Bruker Corporation (Billerica, Massachusetts) has acquired Anasys Instruments Corporation, a privately held company that develops and manufactures nanoscale infrared (nano IR) spectroscopy and thermal measurement instruments such as atomic force microscopy and white-light interferometric 3D microscopy.

SpecTube – Supplier Videos


New Atomic Spectroscopy–Based Approaches in Geochronology: An Interview with the 2018 Emerging Leader in Atomic Spectroscopy

By Spectroscopy Editors

Geochronology is an exciting area of atomic spectroscopy and earth science research. One of the goals is to answer tectonic questions, and in particular, how the crust responds to continent–continent collision. John M. Cottle, a professor of earth science at the University of California, Santa Barbara, is one of the scientists on that mission. Cottle and his research group are at the forefront of discovery in geochronology, combining both laboratory and field-based research. In particular, Cottle is a leader in the development of novel laser-ablation inductively coupled plasma–mass spectrometry (LA-ICP-MS) measurements and their application to tectonic questions in convergent orogens, which are mountain ranges formed when a continental plate crumples and is pushed upwards.

Effective Removal of Isobaric Interferences on Strontium and Lead Using Triple-Quadrupole ICP-MS

By Daniel Kutscher, Simon Lofthouse, Simon Nelms, Shona McSheehy Ducos

Unresolved interferences can lead to biased results in ICP-MS analyses. Here we describe an approach for removing those interferences using reactive gases.

Our Daily Dose of Poison: A Look at Lead in the Food Supply

By Patricia Atkins

How much lead is in our daily lives? We take a look at current research concerning lead in the United States food supply and investigations using ICP-MS into the measurement of high concentrations of lead in food.

Mass Spectrometry

Mass Spectrometry Techniques to Unravel the Heterogeneity of Glycoproteins

By Asif Shajaha, Parastoo Azadi

Since glycans are responsible for bioactivity, solubility, immunogenicity, and clearance rate from circulation, it is vital to have a detailed map of glycans in therapeutic glycoproteins. Detailed glycoprotein structural analysis must be able to identify the peptide sequence where the glycans are attached as well as the structure of the glycan portion, including oligosaccharide sequence and glycosyl linkages. This article details methods for mass spectrometry experiments on both released glycans (“glycomics”), as well as on intact glycopeptides (“glycoproteomics”) using electron transfer dissociation, high-energy collision dissociation, and collision-induced dissociation fragmentation pathways, which are needed to fully elucidate the structure of glycoproteins.

Gas Chromatography–Mass Spectrometry Characterization of Vegetable Oil–Derived Potent Antimicrobial Agents

By Racha Seemamahannop, Prakash Wadhawa, Shubhen Kapila, Abha Malhotra

Under a suitable thermal oxidation regime, vegetable oils yield a mixture of volatile and semivolatile organics that exhibit very high antimicrobial activities against a variety of microbial species. Volatile and semivolatile products were characterized with GC–MS using electron ionization and chemical ionization. The thermal oxidation of vegetable oils resulted in the formation of an array of short and medium-chain acids, aldehydes, and ketones that act synergistically to yield a potent antimicrobial disinfectant.

Review of the 65th Conference on Mass Spectrometry and Allied Topics

By Cindy Delonas

We present a brief review of this year’s ASMS conference, which took place June 4–8 in Indianapolis, Indiana.

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