Society for Applied Spectroscopy

March is Women's History Month! Throughout this month we'll be sharing some resources that highlight women's contributions to spectroscopy and science at large! Since today is Pi Day- also known as the International Day of Mathematics- we share this interesting open-access article from the Journal of Chemical Information and Modeling on the contributions of women in computational chemistry! https://buff.ly/oh0mc73

Laser-Induced Breakdown Spectroscopy as an Accurate Forensic Tool for Bone Classification and Individual Reassignment Read this OPEN-ACCESS article here: https://buff.ly/bqg2HUS This article provides a detailed discussion of the evidence available to date on the application of laser-induced breakdown spectroscopy (LIBS) and supervised classification methods for the individual reassignment of commingled bone remains. Specialized bone chemistry studies have demonstrated the suitability of bone elemental composition as a distinct individual identifier. Given the widely documented ability of the LIBS technique to provide elemental emission spectra that are considered elemental fingerprints of the samples analyzed, the analytical potential of this technique has been assessed for the investigation of the contexts of commingled bone remains for their individual reassignment. The LIBS bone analysis consists of the direct ablation of micrometric portions of bone samples, either on their surface or within their internal structure. To produce reliable, accurate, and robust bone classifications, however, the available evidence suggests that LIBS spectral information must be processed by appropriate methods. When comparing the performance of seven different supervised classification methods using spectrochemical LIBS data for individual reassociation, those employing artificial intelligence-based algorithms produce analytically conclusive results, concretely individual reassociations with 100% accuracy, sensitivity, and robustness. Compared to LIBS, other techniques used for the purpose of interest exhibit limited performance in terms of robustness, sensitivity, and accuracy, as well as variations in these results depending on the type of bones used in the classification. The available literature supports the suitability of the LIBS technique for reliable individual reassociation of bone remains in a fast, simple, and cost-effective manner without the need for complicated sample processing. Sage

Join the Newsletter Team! The SAS Newsletter committee is seeking dedicated volunteers to join our team to help create the monthly SAS newsletter. What's in it for you? Connect with fellow SAS enthusiasts: Build valuable relationships within the Society. Make a meaningful impact: Contribute to a vital resource for the entire SAS community. Gain valuable skills: Develop your writing, editing, and communication abilities. Commitment: A modest time commitment of a few hours per month is all that's required. No experience needed! We welcome individuals from all backgrounds and skill levels. If interested, please contact Konnor Jones as [email protected] to learn more and get involved.

NEW PLATFORM?? We're pleased to announce that Society for Applied Spectroscopy is now on Bluesky! Make sure to follow SAS on Bluesky at https://buff.ly/xgUbAls to keep up with all the SAS news! @https://lnkd.in/gcUKQj4W

Congratulations to Dr. David Schiering for Receiving the 2025 Williams-Wright Award! The Williams-Wright Award is presented annually by the Coblentz Society at the Pittsburgh Conference to an industrial spectroscopist who has made significant contributions to vibrational spectroscopy while working in industry. The work may include infrared and/or Raman spectroscopy, instrumental development as well as theory, and applications of vibrational spectroscopy. The Williams-Wright Award and the accompanying awards symposium was celebrated at Pittcon 2025 in Boston. Dave’s award symposium included the following contributions: “Fostering the Application of Vibrational Spectroscopy through New Instruments and Methods” – Dave Schiering “Dave is Delightful, and Other Tales from the Fringe” – Christopher Brown “45 Years of Developing Raman Instrumentation: Cadillacs to Big Macs” – Keith Carron “A 40 Year Spectroscopy Hardware Journey” – Bob Messerschmidt “From Extraterrestrial to Intracorporeal: 45 years of Molecular Spectroscopy and the Molecular Microspectroscopy Laboratory” – André Sommer Nominations for the 2026 Williams-Wright Award can be submitted to [email protected] by 1 May 2025.

The February issue of Applied Spectroscopy features many interesting articles ranging from laser-induced breakdown spectroscopy as a forensic tool for bone classification to hyperspectral imaging of human facial skin. This issue features several open access articles! Read the full issue here: https://buff.ly/MG3mkTr Sage

Correction of the Effect of Humic Acids on the Fluorescence Detection of Polycyclic Aromatic Hydrocarbons by Combination Spectroscopy Read the full article here: https://buff.ly/4gXsdSs Polycyclic aromatic hydrocarbons (PAHs) are widely distributed in soil and water, but fluorescence spectroscopy for PAHs is often interfered with organic matter in the environment. The aim of this paper is to evaluate a correction method using combined spectral technology in an environment where humic acids and PAHs coexist. In the present work, humic acids and benzo[ghi]perylene were analyzed in various concentrations using fluorescence and near-infrared (NIR) spectroscopy from single and mixed samples. The NIR prediction model of humic acids in mixed samples was established based on synergy interval partial least squares, and the standard curve of fluorescence spectra for humic acids was established at 478 nm (characteristic wavelength of benzo[ghi]perylene). The fluorescence intensity of humic acids in the mixed sample was predicted from the content derived from the NIR spectra. The final correction was carried out by their exclusion from the fluorescence of the mixture at the same wavelength. The corrected fluorescence intensity was linearly correlated with the concentration of benzo[ghi]perylene with R2?=?0.8362, while R2?=?0.3538 before correction. These results give a new insight into the calibration modeling of the combined spectral method. Sage

Check out these Pittcon symposia for Wednesday March 5th that may be of interest to SAS members! Refer to the Pittcon technical program for the full details of associated talks https://buff.ly/LiQVGMg Williams-Wright Award (Presented by The Coblentz Society) Honoring Room 104A, 8:30 AM–11:40 AM EST Luisa Profeta - David Schiering – 908 Devices, Inc., “Fostering the Application of Vibrational Spectroscopy through New Instruments and Methods” - Christopher Brown – 908 Devices, Inc., “Dave is Delightful, and Other Tales from the Fringe” - Keith Carron - SKM Instruments, “45 Years of Developing Raman Instrumentation: Cadillacs to Big Macs” - Bob Messerschmidt – COR Health Inc., “A 40 Year Spectroscopy Hardware Journey” André Sommer – Molecular Microspectroscopy Laboratory, “From Extraterrestrial to Intracorporeal: 45 Years of Molecular Spectroscopy and the Molecular Microspectroscopy Laboratory” *This post originally stated in error this session is on Monday March 5th. The post has been corrected for Wednesday March 5th**

Check out these Pittcon symposia for Monday March 4th that may be of interest to SAS members! Refer to the Pittcon technical program for the full details of associated talks https://buff.ly/LiQVGMg Vibrational Spectrosocpy in Defense and Security (Coblentz Society Organized Session) Room 155, 9:30 AM – 12:00 PM EST Organizers: Luisa Profeta and Michael Hargreaves PAI-NET Cutting-edge IR Spectroscopy for Studying Organic Thin Films, Sensing Surfaces and Material Recycles Room 109B, 9:30 AM – 12:00 PM EST Organizer: Takeshi Hasegawa Artificial Intelligence and Vibrational Spectroscopy: From the Cutting-edge Research to Practical Applications Room 211, 2:30 PM–5:00 PM EST Organizers: Jüergen Popp

Analysis of the Adsorption Behavior of Phenanthrene on Microplastics Based on Two-Dimensional Correlation Spectroscopy Read the full article here: https://buff.ly/4gVeD2e Microplastics (MPs), an emerging pollutant, widely co-occur with polycyclic aromatic hydrocarbons (PAHs) in the environment. Therefore, the interaction between MPs and PAHs has been the focus of much attention in recent years. In this study, three types of MPs, i.e., polypropylene, polystyrene, and poly(vinyl chloride), with the same main chain were selected as the adsorbents, with phenanthrene (PHE) as the representative PAHs. The adsorption mechanisms were explored from the perspective of the molecular spectral level using a combination of Fourier transform infrared spectroscopy (FT-IR) with a two-dimensional correlation technique. The adsorption kinetics results showed that the adsorption of PHE on the three MPs was dominated by chemisorption. However, the FT-IR analysis results indicated that no new covalent bond was created during the adsorption process. Based on the above research, a generalized two-dimensional (2D) correlation spectral technique was employed to investigate the sequence of functional group changes during the adsorption process for different MPs. Furthermore, the hybrid 2D correlation spectral technique explored the effect of side groups attached to the main chain molecules of MPs on adsorption. The results showed that for all three MPs, the functional groups in the side chain have a higher affinity for PHE, which is due to their higher hydrophobicity. This study provides a feasible way to analyze the adsorption of pollutants on MPs, and the results are important for understanding the adsorption interaction between PAHs and MPs in the aquatic environment. Sage