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Society for Applied Spectroscopy

@sasspectroscopy.bsky.social
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www.s-a-s.org The Society for Applied Spectroscopy is a nonprofit organization formed to advance and disseminate knowledge and information concerning the art and science of spectroscopy.

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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 30/09/2026
📅 Need to plan out your day at SciX 2026? Check out the conference agenda to see what's happening each day and make sure you don't miss the sessions, presentations, and events you're most excited about! 👉 View the agenda: bit.ly/4gPPqbg #SAS #SciX2026 #Spectroscopy #AnalyticalScience
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 28/09/2026
Make an impact by volunteering with SAS! Share your expertise, connect with fellow professionals, build leadership skills, and support the spectroscopy community. 👉 Get involved: bit.ly/3SxKH6a #SAS #Spectroscopy #Volunteer
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 24/09/2026
🌆 Make the most of your time at SciX 2026! After the conference wraps up for the day, explore some of the restaurants, attractions, and hidden gems Sparks has to offer. 👉 Explore local hotspots: bit.ly/4x3nxCR #SAS #SciX2026 #SparksNevada
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 23/09/2026
Stay current with the latest research from Applied Spectroscopy Practica! Join the mailing list for updates on new research, recently published articles, journal news, and more. 👉 Sign up: bit.ly/3Q9xq1N #SAS #Spectroscopy #AppliedSpectroscopyPractica
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 21/09/2026
📣 Get your organization in front of the spectroscopy community! SAS sponsorship and advertising opportunities can help increase your visibility among scientists, researchers, and industry professionals. 👉 Explore opportunities: bit.ly/4q5vT9u #SAS #Spectroscopy #Sponsorship
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 18/09/2026
⏰ Today is the deadline to book your hotel for SciX 2026! Heading to Sparks, Nevada, October 4–9? Reserve your room through the official hotel block before it closes today. 🏨 Book now: bit.ly/46MKzCZ #SAS #SciX2026 #Spectroscopy
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 16/09/2026
🔬 Find the SAS membership that fits you! With options for students, early career professionals, established scientists, and more, there’s a place for you in the spectroscopy community. 👉 Join SAS: bit.ly/4xDqfzN #SAS #Spectroscopy #SASMembership
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 16/09/2026
REMINDER: Don't miss out on the next Society for Applied Spectroscopy Distinguished Spectroscopist Invited Lecture, presented by Dr. Rohith Reddy ❗TOMORROW❗ September 17 at 12:00 PM EDT. Register here today: loom.ly/YUHU-7s
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 14/09/2026
New from Applied Spectroscopy! Fractional–Rational Calibration for Laser-Induced Breakdown Spectroscopy (LIBS) Analysis of Steels with High Matrix Variability Read more: doi.org/10.1177/00037028261456320 #SAS #Spectroscopy #LIBS #Calibration #steel
Abstract:  The results of an original calibration methodology that accounts for interelement influences in the analysis of alloyed steels using laser-induced breakdown spectroscopy (LIBS) are presented. The results were obtained from a dataset of spectra provided for the regression competition at the LIBS 2022 conference and available online. The dataset includes spectra from 41 steel samples with known concentrations of major alloying elements (chromium, nickel, manganese, molybdenum, carbon, silicon, copper) and 15 samples with unknown compositions for model validation. The concentration of alloying elements varies over a wide range, with iron content ranging from 98% to 41%. To reduce spectral line position instability, we applied a preprocessing method that maximizes the correlation of each spectrum with the first spectrum in the dataset. The implementation of the developed calibration methodology led to an improvement in the root mean square error of the analysis, with reduction factors ranging from two (for nickel and molybdenum) to five (for manganese and chromium) when compared to classical calibration.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 14/09/2026
Want to learn #spectroscopy from the scientists who help set the standards? Check out #SpecAcademy, a joint initiative with #SAS, #Coblentz, #SpectroscopyMedia, and #IASA. Browse the catalogue and learn how to enroll here: loom.ly/JCGohNs #AnalyticalChemistry #ProfessionalDevelopment
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 14/09/2026
⏰ The SciX 2026 hotel block closes September 18! Heading to Sparks, Nevada, October 4–9? Book your stay soon and get ready for SciX! Register: bit.ly/4vdb8vP Hotel: bit.ly/46MKzCZ #SAS #SciX2026 #Spectroscopy
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 11/09/2026
☕ SAS members attending SciX 2026—join us for breakfast on October 6 from 7–8 AM at the Chalet Terrace Meeting Room at the Nugget Casino Resort! Connect with fellow members and start your day with SAS. 👉 Register: bit.ly/4iehk39 #SAS #SciX2026
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 11/09/2026
New from Applied Spectroscopy! Raman Spectroscopy of Biofluids: Fusion Strategies for Detecting Oral Potentially Malignant Disorders and Oral Cancers Read more: doi.org/10.1177/00037028261445469 #SAS #Spectroscopy #Raman #Oral #Malignant #Cancer #Biofluids
Abstract:  Minimally invasive screening tools are essential for early detection of oral cancers to reduce mortality. A key necessity is the ability to differentiate highly heterogeneous oral potentially malignant disorders (OPMDs) and cancers. This study evaluated serum and salivary Raman spectroscopy (RS) for detecting OPMDs and oral cancers. Blood and saliva were collected from 13 non-habitual controls (NHC), 13 tobacco habitués (HC), 10 leukoplakia (L), 25 oral submucous fibrosis (OSMF), and 14 oral squamous cell carcinoma (OSCC) subjects. Raman spectra were acquired, pre-processed, and analyzed using multivariate methods. Serum outperformed saliva in individual classification models, achieving accuracies of 92%, 85%, 100%, 88%, and 85% for NHC, HC, L, OSMF, and OSCC, respectively. Saliva, despite its non-invasive advantage, showed higher misclassification among HC, L, OSMF, and OSCC. Low-level fusion of serum and saliva spectral data improved the classification of OSMF, OSCC, and NHC groups compared to saliva models. Mid-level fusion surpassed both biofluids, reaching 100% accuracy for NHC, L, and OSMF. Multivariate curve resolution–alternating least squares analysis of serum revealed altered protein- and lipid-related features among groups. These findings demonstrate the potential of serum and salivary RS, particularly with data fusion, as effective tools for OPMD and oral cancer screening.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 10/09/2026
The next SAS Distinguished Spectroscopist Invited Lecture will be presented by Dr. Rohith Reddy on September 17 at 12:00 PM EDT. Register here today: loom.ly/YUHU-7s
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 09/09/2026
New from Applied Spectroscopy! Real-Time Quantification of #Hydrogen and #Deuterium Using Laser-Induced Breakdown Spectroscopy (#LIBS) in the Off-Gas of an Engineering-Scale Pumped Molten Salt Loop Read more: doi.org/10.1177/00037028261454365 #SAS #Spectroscopy #molten #salt
Abstract:  Laser-induced breakdown spectroscopy (LIBS) is being considered for elemental analysis of radionuclides transported into the off-gas system of molten salt reactors. A mobile LIBS system was calibrated for gas-phase measurements of hydrogen (i.e., protium, denoted here as H) and deuterium (D) in argon (Ar). The system was then used to quantify the concentrations of H and D in the off-gas of an engineering-scale molten salt loop (∼200 kg salt) following the addition of H2 or D2 as a 4% blend in Ar. The limits of detection for H and D were determined to be 0.0013 and 0.0011 mol% (13 and 11 parts per million), respectively. This research was carried out at the U.S. Department of Energy’s Oak Ridge National Laboratory in the Facility to Alleviate Salt Technology Risks (FASTR) pumped salt loop. Previous molten salt LIBS research has predominantly been performed at the bench scale, thus this study represents a major stride toward deploying LIBS technology for monitoring the performance of molten salt reactors. During the FASTR testing, the LIBS system operated continuously for several days. This online monitoring campaign demonstrates advancement in the application of LIBS for online monitoring of off-gas in molten salt systems.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 08/09/2026
New from Applied Spectroscopy! Raman Spectroscopic Characterization of Carotenoid and Phenolic Co-Occurrence in Euphorbia pulcherrima Bracts and Inflorescences Read more: doi.org/10.1177/00037028261453405 #SAS #Spectroscopy #Raman #Poinsettia #Euphorbia #pulcherrima
Abstract:  The present study investigated the carotenoid content in colored bracts, nectar gland, flowers, and pollen of Euphorbia pulcherrima (poinsettia) using Raman spectroscopy. Raman spectra obtained from in situ and crude extracts of the structural components were attributed to carotenoids, phenolic acids, flavonoids, and anthocyanins. Significant changes in the spectral profile were observed according to the bract´s color variation. In the green leaves, bands assigned to carotenoids presented a higher intensity when compared to the main bands ascribed to phenolic acids/polyphenols. Intensity ratios involving ν(C=C) mode at 1527 cm–1, from carotenoids and ν(C=C)ar at 1600 cm–1, from polyphenols decreases in the following order: green leaves (Icar/Ipol = 1.89), yellow (Icar/Ipol = 0.72), red (Icar/Ipol = 0.4), and pink bracts (Icar/Ipol = 0.3). No carotenoid band was detected in white bracts. Raman mapping performed with bracts in transition of the coloration from green to red revealed that both carotenoids and phenolic compounds occur throughout the adaxial surface, but with different color gradients according to the development of the bract. The analysis of the inflorescences showed that carotenoids were the main pigments responsible for the coloration of the yellow nectar gland and pollen grains, while bracts and flowers (pedicel and style) had a predominance of polyphenols. We also used Raman spectroscopy to characterize the efficiency of crude extracts of green leaves and red bract as a reducing agent in the synthesis of silver nanoparticles (AgNPs). The red bract acetone crude extract yielded the most intense localized surface plasmon resonance (LSPR) signals. This work demonstrates the dual utility of E. pulcherrima bracts: as a source of diverse phytochemicals and as a sustainable route to biologically active nanostructured materials.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 07/09/2026
Shape the future of laboratory science at #Pittcon2027! @pittcon.bsky.social Deadlines: • Roundtables & Workshops: Sept. 21 • Oral Abstracts: Sept. 28 • Poster Abstracts: Oct. 15 📍 Pittsburgh, PA | April 24–28, 2027 Submit your work: loom.ly/gUF_I3I
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 04/09/2026
New from Applied Spectroscopy! Wave Lensing Effects on a Remote Raman Sensor: Enhanced Mean and the Intensity Distribution of Raman Flashes Read more: doi.org/10.1177/00037028261455069 #SAS #Spectroscopy #Raman #Remote #Sensor #Lensing
Abstract:  The water OH Raman band has been used as an internal standard for remote airborne measurements of fluorescence in water, but the Raman and fluorescence signals of airborne sensors can be perturbed by surface waves that induce a focusing or diverging effect. This lensing effect of waves changes the strength and effective sampling depth of optical signals detected by a remote sensor relative to the flat-water condition. In this work, a small remote optical sensor was used to observe the impact of the lensing effect on Raman scattering of water in a diving pool. This manuscript reports the impact of avalanche multiplication noise on the Raman scattering of flat water; the appearance of bright wave-induced Raman “flashes” analogous to, but stronger than, those observed for sunlight focusing; an approximately logarithmic distribution of signal strengths; and an increase in the average signal strength observed in the presence of waves. A mathematical model of the lensing effect in weak lensing conditions was developed for sinusoidal waves and employed to interpret the observed variability of the Raman signal.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 04/09/2026
❗#SciX2026 is officially ONE month away! ❗ 🎰Join us October 4-9, 2026 at the Nugget Casino Resort in Sparks, NV. Registration link: loom.ly/i9bNCco 🏨Book your hotel by September 18th: loom.ly/q6pdB4I Can't wait to see you there!
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 03/09/2026
The next SAS Distinguished Spectroscopist Invited Lecture will be presented by Dr. Rohith Reddy on September 17 at 12:00 PM EDT. Register here today: loom.ly/YUHU-7s
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 02/09/2026
SciX 2026 needs poster judges! Sign up here today: loom.ly/WZ0Q5IM #SciX2026 #SAS #spectroscopy
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 02/09/2026
New from Applied Spectroscopy! Revealing Buried Thermal Responses in Polymer Multilayers Using Photothermal Mirror Infrared Spectroscopy Read more: doi.org/10.1177/00037028261445123 #SAS #Spectroscopy #Polymer #Multilayers #Photothermal #Mirror #Infrared #PTM
Abstract:  Depth-resolved characterization of buried layers is crucial for understanding energy transport and optical response in multilayer materials. Photothermal signal generation in such systems is commonly viewed in terms of heat loss and signal attenuation, with amplitude and sensitivity decreasing rapidly as overlayer thickness increases. Here, we demonstrate that the photothermal mirror infrared (PTM-IR) technique exhibits the opposite behavior: its transient signal increases with overlayer thickness, driven by enhanced surface displacement resulting from improved thermal confinement within the overlayer. A combined finite-element analysis (FEA) and one-dimensional analytical model based on Green’s function formalism quantitatively describe the temperature and surface displacement dynamics in multilayer materials. Experiments on poly(methyl methacrylate)–polystyrene (PMMA–PS) bilayers on CaF2 substrates validate the model, showing excellent agreement between theory and measurement. The results establish PTM-IR as a non-destructive infrared technique capable of probing buried absorbers and determining both absorber and overlayer thicknesses, extending the reach of depth-restricted photothermal techniques toward deeper, non-contact subsurface characterization.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 31/08/2026
New from Applied Spectroscopy! Silica Nanoparticle and Microwave Plasma Torch Effects on Laser-Induced Breakdown Spectroscopy Read more: doi.org/10.1177/00037028261449275 #SAS #Spectroscopy #LIBS #MPT #NELIBS #FDTD #titanium #silica #nanoparticle
Abstract:  Laser-induced breakdown spectroscopy (LIBS) is a commonly used elemental analysis technique, often combined with other methods to achieve effective detection of element concentrations in samples. In this work, we investigated the effects of silica nanoparticles and a microwave plasma torch (MPT) on the emission spectral signals of titanium (Ti) in LIBS. The laser energy was optimized, and the emission intensities at different silica nanoparticle concentrations were compared. Furthermore, the finite-difference time-domain (FDTD) method was employed to simulate variations in electric field intensity in order to verify the optimal nanoparticle concentration, and time-resolved experiments were conducted to explore the evolution of the emission spectra. The results silica nanoparticles significantly increase plasma electron density, which in turn enhances both emission intensity and signal-to-noise ratio (SNR). In addition, it demonstrates that the MPT extends the plasma lifetime, thereby enhancing the accumulated emission signal. When silica nanoparticles were combined with MPT using nanoparticle-enhanced laser-induced breakdown spectroscopy (MPT-NELIBS), it achieved substantial improvements in spectral intensity and SNR and reduce the dependence of NELIBS on nanoparticles. Ultimately, this method exhibited excellent performance in the quantitative detection of Ti, with the determination coefficient (R2) of the calibration curve increasing to 0.999 and the limit of detection (LOD) decreasing to 0.14 parts-per-million (ppm), highlighting its great potential for highly sensitive trace element analysis.
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Reposted by Society for Applied Spectroscopy
NASA | ESA Space Updates @nasaupdates.bsky.social · 28/08/2026
NASA's Nancy Grace Roman Space Telescope has arrived at the SpaceX hangar at Kennedy Space Center ahead of launch! Roman is launching 9 months ahead of schedule to help transform our view of the universe. 🚀 1/3
A nighttime shot of the Nancy Grace Roman Space Telescope encapsulated in its payload fairing, traveling to the SpaceX hangar at Launch Complex 39A at NASA’s Kennedy Space Center. Credit: Sydney Rohde (Rocz)
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 28/08/2026
New from Applied Spectroscopy! Anharmonic Debye–Waller Factor in the X-ray Absorption Fine Structure (XAFS) Spectroscopy of Silver: A Classical Statistical Approach Read more: doi.org/10.1177/00037028261444765 #SAS #Spectroscopy #anharmonic #XAFS #Silver
Abstract:  The anharmonic Debye–Waller (DW) factor in the X-ray absorption fine structure (XAFS) spectroscopy of crystalline silver (Ag) is explicitly examined, accounting for thermal disorder. A framework combining classical statistical mechanics with the correlated Einstein model is employed to describe atomic interactions and lattice vibrations. The DW factor characterizes attenuation of the XAFS amplitude induced by thermal motion and is essential for extracting structural and thermodynamic information from XAFS spectra. The derived thermodynamic XAFS parameters incorporate atomic correlations and anharmonicity, accounting for nearest-neighbor effects on both the absorber and backscatterer. The analytical expressions for these parameters are derived in a simple, explicit, temperature-dependent form, making them convenient for XAFS analysis. The applicability of the classical approximation is quantitatively assessed through comparison with quantum-mechanical expressions for lattice vibrations. Adopting a conservative criterion of less than 10% deviation, the classical description is reliable for temperatures T  > 148  K, and the quantitative analysis is restricted to this range. Numerical results for Ag show good agreement with predictions from the anharmonic correlated Debye model, fitting method, and experimental data within the validated temperature range.
Results at lower temperatures illustrate the breakdown of the classical approximation and are not used for quantitative interpretation. Theoretical and experimental Fourier transform magnitudes |χ(R)| from k2 weighted spectra match closely near the first-shell peak. Overall, the present approach provides an effective framework for anharmonic XAFS DW analysis in Ag at elevated temperatures and is extendable to other metals.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 28/08/2026
DEADLINE REMINDER: Applied Spectroscopy Practica will publish a special collection titled Advancing Analytical Methodologies for Complex Pollutants: PFAS and Microplastics. ‼️The submission deadline is THIS TUESDAY, September 1, 2026. ‼️ Learn more: loom.ly/Rj_AQGM
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 27/08/2026
The next Distinguished Spectroscopist Invited Lecture will be presented by Dr. Rohith Reddy on September 17 at 12:00 PM EDT. Keep an eye out in your email for the Zoom link! Title: Advances in Photothermal Mid-infrared Spectroscopic Imaging for Biomedical Diagnostics and Translational Applications
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 26/08/2026
The SAS is seeking input and ideas from SAS members to furhter define the Society's Mission, Vision, and Value Proposition (MVV). Click the link loom.ly/WZAzaTA to submit your ideas and help us formulate an MVV that will drive us into the future.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 26/08/2026
New from Applied Spectroscopy! Simple Estimation of Errors and Multi-Pixel Signal-to-Noise Ratio for Gaussian, Lorentzian, and Pseudo-Voigt functions Fit to Noisy Spectral Data Read more: doi.org/10.1177/00037028261446995 #SAS #Spectroscopy #Error #Estimation #Noisy #Spectral #Data
Abstract:  Quantification of band parameters in spectral data typically requires iteratively fitting the spectroscopic feature to Gaussian, Lorentzian, or pseudo-Voigt functions for the extraction of band height, width, position, and area values. However, there are currently no adequate methods of measuring their errors. Previously, Lenz and Ayres [“Errors Associated with Fitting Gaussian Profiles to Noisy Emission-Line Spectra”. Publications of the Astronomical Society of the Pacific. 1992. 104: 1104. DOI: 10.1086/133096] addressed this problem for Gaussian fits by empirically fitting a set of model data to derive equations for the calculation of Gaussian band parameter errors. However, the treatment of only Gaussian fitting functions greatly limits utility. In this study, we extend their error calculation methods to include Lorentzian and pseudo-Voigt fits for error analysis in a wide range analytical techniques that utilize spectral fitting. We do this empirically by fitting a model dataset of noisy spectral signals to Gaussian, Lorentzian, and pseudo-Voigt functions to calculate the accuracy and precision of the fits. We derive a set of equations for the simple calculation of band fitting errors. In addition, the simple calculation of band height and area errors allows for easy calculation of multi-pixel signal-to-noise ratios that were previously shown to significantly improve instrument limit-of-detection [Jakubek et al. “Improving Spectroscopic Detection Limits with Multi-Pixel Signal-to-Noise Ratio Calculations: Application to the SHERLOC Instrument Aboard the Perseverance Rover”. Analytica Chimica Acta. 2025. 1357: 344072. DOI: 10.1016/j.aca.2025.344072]. The results of this work are broadly applicable to most analytical techniques that produce spectral data.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 25/08/2026
From October 7–9, 2026, the international heritage science community will gather at the historic Winterthur Museum, Garden & Library in Delaware for IRUG16. ❗General registration closes September 22, 2026. Learn more and register here: loom.ly/fpkrJvc.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 24/08/2026
Interested in submitting an article to Applied Spectroscopy or Applied Spectroscopy Practica? Our Information to Authors page has everything you need to know, including the recommended Applied Spectroscopy Spectroscopic Nomenclature! Click loom.ly/DQ3y0q4 to learn more.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 24/08/2026
New from Applied Spectroscopy! Advancing Spectroscopic Photoacoustic Imaging for Biomedical Applications: Opportunities, Challenges, and Pathways to Clinical Translation Focal Point Review Read more: doi.org/10.1177/00037028261434576 #SAS #Spectroscopy #Review #Photoacoustic #imaging
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 21/08/2026
Karen Gall from HORIBA is August's Early Career Interest Group Member of the Month! Would you like to be featured as the ECIG Member of the Month? If so, please complete our short online survey by clicking on the link here: loom.ly/mfGSitc
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 20/08/2026
Have you seen the latest 📖Quarterly Literature Review📖 from SAS, featuring articles in atomic spectroscopy? You can check your email inbox, or read the full review here: loom.ly/vJPvH-w. If you're ready for more, renew your membership or join SAS today!: loom.ly/zGAaW9I
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Reminder: July 2026 Literature Review: Featuring Articles in Atomic Spectroscopy
Email from Society for Applied Spectroscopy Quarterly Literature Review - July 2026 Welcome to our quarterly newsletter highlighting key papers published in our journals, Applied Spectroscopy and Appl
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 19/08/2026
The NY/NJ Section of the Society for Applied Spectroscopy's invited seminar will take place❗TOMORROW❗on August 20th at 12:00 pm EDT. Title: KNNR in the Wild: Nonlinear Neighborhoods that Outperform PLS (Sometimes) Speaker: Dr. David Honigs Zoom meeting link: loom.ly/I1Pjw50
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 18/08/2026
The SAS is pleased to announce that Kristin McDonald has been named the 2026 SAS Presidential Award winner. Thank you, Kristin, for the years of thoughtful service to the society and our journals. We wish Kristin the best of luck in her future endeavors.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 14/08/2026
📣CALL FOR PAPERS📣: @applspecpractica.bsky.social will publish a collection titled Advancing Analytical Methodologies for Complex Pollutants: #PFAS and #Microplastics. The submission deadline is September 1, 2026. Learn more: loom.ly/Rj_AQGM
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 14/08/2026
We've been on summer vacation, so we're behind on promoting the Early Career Interest Group Member of the Month for July, Alexis Weber! Alexis will also be a speaker on the ECIG career panel session at #SciX2026!
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 13/08/2026
The NY/NJ Section of the Society for Applied Spectroscopy's invited seminar will take place❗NEXT WEEK❗on August 20th at 12:00 pm EDT. Title: KNNR in the Wild: Nonlinear Neighborhoods that Outperform PLS (Sometimes) Speaker: Dr. David Honigs Zoom meeting link: loom.ly/I1Pjw50
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 12/08/2026
New from Applied Spectroscopy! Multi-Reflectance-Spectroscopy, Part III: In-Line Monitoring of Milk Fat Globule Size via Sauter Diameter Using an Optical Sensor Read more: doi.org/10.1177/00037028261440919 #SAS #Spectroscopy #MRS #milk #fat #globule #sensor
Abstract:  In milk-based formulations, fat globule size is a fundamental quality parameter. Accurate measurement of globule size is critical for ensuring consistent product performance, preferably through in-line monitoring. However, most conventional techniques are off-line and unsuitable for integration into manufacturing processes. The objective of this study was to demonstrate the feasibility of a recently developed optical sensor based on Multi-Reflectance Spectroscopy (MRS) for in-line estimation of the fat globule Sauter diameter. The MRS sensor acquires multidimensional reflectance data across multiple wavelengths and defined illumination–detection geometries. Industrial validation was performed in a milk standardization plant using low-fat (1.5 wt%) and whole-fat (3.5 wt%) milk. Fat globule sizes were systematically varied by stepwise adjustment of homogenization pressure. Reference globule size distributions were obtained via analytical centrifugation and expressed as the Sauter diameter. Analytical reflectances derived from the reference size distributions were compared with experimental spectra to assess globule size dependency of the optical responses. Principal component analysis revealed a clear separation between fat concentration levels, motivating the development of concentration-specific partial least squares regression models. Two PLS models were trained and validated using independent datasets. Across the combined concentration range and full Sauter diameter span (0.7–3.5  um), resulted in a test RMSE of 271 nm. For the separate 1.5 and 3.5 wt% fat lines, RMSE values of approximately 80 and 40 nm were obtained, respectively. These results demonstrate that the MRS-based optical sensor enables accurate, real-time in-line monitoring of fat globule size in complex dairy emulsions and represents a promising process-analytical tool for industrial process control.

Figure 1. (a) Schematic sketch of milk mixing plant, the role of the homogenizer and the position of the MRS sensor. (b) The schematic timeline illustrates the field studies (C1 to C11) conducted at different homogenization pressures and fat contents. The pressure was increased stepwise, with the highest pressure applied up to five times.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 10/08/2026
New from Applied Spectroscopy! pH-Dependent Luminescence of Flufenamic Acid Utilizing Molecular Logic Gate Operations Read more: doi.org/10.1177/00037028261438136 #SAS #Spectroscopy #Flufenamic #pH #Luminescence #Logic #gate
Abstract
Flufenamic acid (FFA), a widely used nonsteroidal anti-inflammatory drug, is primarily recognized for its therapeutic role in pain and inflammation management. Beyond its pharmaceutical relevance, FFA exhibits pronounced pH-dependent variations in its ultraviolet–visible (UV–Vis) absorption and fluorescence spectra, which remain largely unexplored for functional material applications. In this study, the optical behavior of FFA was systematically investigated over a broad pH range (1–14), revealing distinct and reversible spectral changes driven by protonation and deprotonation processes. These pH-responsive optical features were employed to construct molecular logic gates, including implication and an improved “INHIBIT” (IP-INHIBIT) gate, highlighting the potential of FFA as an on–off pH sensor and a promising candidate for organic electronic applications.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 07/08/2026
New from Applied Spectroscopy! Sub-Second, Sensitive and Multispecies Detection of Volatile Organic Compounds Using a Mid-Infrared Broadband Supercontinuum Source and Upconversion Spectrometer Read more: doi.org/10.1177/00037028261446656 #SAS #Spectroscopy #MIR #NIR #VOC #detection
Abstract:  Reliable monitoring and analysis of volatile organic compounds (VOCs) are crucial for environmental monitoring and human health. In this work, we report a system for fast, sensitive, and multispecies detection of VOCs by combining a fiber-based broadband mid-infrared (MIR) supercontinuum (SC) source with an upconversion spectrometer. The system’s performance in terms of species identification accuracy, robustness against inter-species interference and real-time multi-species detection capability was evaluated by monitoring and tracing the evaporation dynamics of three VOCs, i.e., acetone, ethanol, and α-pinene. We achieved detection limits of 30 parts per million per meter (ppm·m), 5 ppm·m, and 0.6 ppm·ּּm in 1 second for these three compounds, respectively. Furthermore, the evaporation behavior of individual compounds from a mixture was investigated to demonstrate the system’s capability for dynamic multicomponent analysis.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 05/08/2026
New from Applied Spectroscopy! Micro-#Raman #Spectroscopy, X-ray Fluorescence, and X-ray Diffraction Analysis of Materials, Stratigraphy, Hidden Inscriptions, and Artistic Techniques in Portrait of Farrokh Gaffari More: doi.org/10.1177/00037028261449272 #SAS #art #painting #XRD #XRF #Iranian
Abstract:  This study employs an integrated, multi-technique, minimally microinvasive investigation of the material composition, stratigraphy, and technique of the Portrait of Farrokh Gaffari, which was created in 1959 by Qollar-Aqasi, an artist of the Iranian Coffeehouse Painting workshop, thereby closing the element → phase → molecule evidence chain by combining whole-field macroscopic X-ray fluorescence analysis (MA-XRF) with X-ray diffraction (XRD) and micro-Raman, complemented by cross-section microscopy and fiber analysis. MA-XRF resolves two subsurface narratives: Continuous Sr and Ba-K line patterns that expose hidden Persian lettering on a reused shop-sign support (blue ground with white lettering), and an Fe-mapped pentimento masked by Fe-poor overpaint, documenting a localized compositional revision. Mapping and section analysis reveal a zinc-rich gray priming beneath the paint and multi-campaign varnishes. Using Bruker Gamma Filter technology, effective separation of substrate-derived and surface zinc signals was achieved, thereby improving the accuracy of spectral targeting. Raman identifies lithol red (PR49, likely PR49:2) as the principal red and Prussian blue (PB) as the main blue. Ultramarine occurs as deep-blue accents. XRD identifies lithopone (BaSO4+ZnS), zinc oxide (ZnO), and lead chromate (PbCrO4), rationalizing why the red is XRD-silent while whites/yellows are phase-visible. Together, these data resolve a compact, high-saturation palette logic: mixture-greens from PbCrO4 + PB, lithopone-moderated whites and reds, and area-specific combinations (e.g., canopy: PbCrO4 + PB + iron oxide + lithopone; fountains and flowing water: PB + lithopone, flowerbeds/red blossoms: lithol Red (PR49) + carbon black). Fiber microscopy identifies a cotton support assembled from two panels with orthogonal warp orientations. Furthermore, it is worth noting that this painting was executed on a repurposed blue-background-with-white-lettering advertising sign, which is a substrate choice that not only aligns closely with the pragmatic “local material adoption” principle of the Coffeehouse Painting workshop but also echoes their typical painting-on-a-sign practice, with the original sign’s material composition specified as follows: the blue ground comprises CaCO3, BaSO4, and PB, while the white lettering is formulated with BaSO4.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 03/08/2026
New from Applied Spectroscopy! Spectral Similarity Analysis of Camphor-10-Sulphonic Acid: A System Suitability Standard for Circular Dichroism in Quality Regulated Environments Read more: doi.org/10.1177/00037028261437102 #SAS #Spectroscopy #UV #Circular #Dichroism #CD
Abstract:  Spectral similarity supports comparison of circular dichroism (CD) spectra by using all datapoints to improve alignment of wavelength, intensity and offset. CD is increasingly used to confirm the higher order structure and stability of biopharmaceutical proteins, which requires method validation and assessment of robustness in quality regulated analytical systems. Camphor-10-sulphonic acid (CSA), or its ammonium salt, is widely used to calibrate spectropolarimeters, with its use specified in the European Pharmacopoeia (EP), and, more broadly, as a system suitability standard. Spectral similarity comparison of 75 CSA reference spectra in the Protein Circular Dichroism Data Bank (PCDDB) showed the potential value of this approach to monitor instrument performance and support compliance within a quality system.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 31/07/2026
New from Applied Spectroscopy! Stacked Machine Learning for Timber Identification Using Laser-Induced Breakdown Spectroscopy (LIBS) Read more: doi.org/10.1177/00037028261444395 #SAS #Spectroscopy #LIBS #timber #ML #Dalbergia #SVM
Abstract:  This study presents a new approach to wood species identification using laser-induced breakdown spectroscopy (LIBS) combined with stacked machine learning techniques. The research analyzed 700 samples comprising nine Dalbergia species and nine additional tropical timber species, utilizing a handheld LIBS analyzer. A stacking methodology was developed by integrating three support vector machine (SVM) models with different kernel functions (linear, polynomial, and radial) in a one-versus-all (OVA) configuration. These SVM outputs were then combined using a partial least squares discriminant analysis (PLS-DA) meta-learner. Through PCA-based variable selection, the dimensionality was reduced from 23 401 to wavelengths while maintaining classification accuracy. The stacking approach achieved a Cohen's kappa value of 0.8671 in the validation set, significantly outperforming traditional flat classifiers. Variable importance analysis revealed calcium, magnesium, and barium as crucial elements for species differentiation, with their concentrations reflecting environmental conditions and geographical origins. This research demonstrates the potential of combining LIBS spectroscopy with advanced machine learning techniques for rapid, non-invasive timber identification, which can support efforts against illegal logging and enforcement of international trade regulations.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 31/07/2026
Be sure your organization is part of the conversation year-round with a SAS sponsorship and advertising opportunities, which can help you connect with a highly engaged audience of scientists, researchers, and industry professionals from around the world.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 29/07/2026
☀️ Summer is a great time to explore new opportunities and plan your next career move. Whether you're looking for a position in academia, industry, or research, the SAS Career Postings page can help you discover what's next in spectroscopy and analytical science.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 29/07/2026
New from Applied Spectroscopy! Data Adequacy Testing for Partial Least Squares Discriminant Analysis Using Raman Spectra Read more: doi.org/10.1177/00037028261439686 #SAS #Spectroscopy #PLS #Raman #predictor #NullHypothesis
Abstract:  Partial least squares discriminant analysis (PLS-DA) is often used for data sets that consist of a large number of potential predictors but relatively few observations such that chance correlations between predictors and response can occur that lead to false conclusions. Hence, there is a need for data adequacy testing before model building but currently no such method exists. In this work we propose one where we used random permutations to destroy the correlation structure between predictor and response data. This produced normal distributions of chance correlation coefficients that were used to find correlation coefficients in the non-permuted data that differed significantly from chance occurrences. Based on these distributions, we defined two novel null hypotheses to control for when a true null hypothesis is incorrectly rejected and the other for when a false null hypothesis is not rejected. To counter false positive errors, the standard significance levels were adjusted with predictor-based Bonferroni corrections. To counter false negative errors, we compared the true and permuted correlation coefficients in distribution tails. The outcomes of the hypothesis tests then indicated whether or not PLS-DA models could be successfully built from these data sets. We also investigated how to determine the number of samples needed for a data set with a given number of predictors. Simulations showed that our method produced significantly fewer false positives than PLS-DA (P = 0.0018, our method error rate 12 × less than PLS-DA error rate) but significantly more false negatives (P = 0.0003, our method error rate 4.5 × more than PLS-DA error rate). Data from Raman spectroscopy showed that the method transferred to real data. By pre-screening such data, our method can aid in assessing whether to proceed with model building and, when there is a need to increase the sample size, we show by how much.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 27/07/2026
New from Applied Spectroscopy! Quantitative Diagnostics of Hydroxyl (OH) Radicals in Methane–Air Flames Using Wavelength Modulation Spectroscopy with Correction for Water Spectral Interference Read more: doi.org/10.1177/00037028261450621 #SAS #Spectroscopy #WMS #NIR #DAS #flame
Abstract:  Exhaust gases generated by fossil fuel combustion significantly contribute to air pollution and climate change, emphasizing the need for efficient combustion diagnostics. OH radicals are key indicators of flame behavior; however, conventional laser-induced fluorescence (LIF) techniques are impractical for industrial monitoring due to their complexity. In this study, wavelength modulation spectroscopy (WMS) employing a near-infrared laser at 1.49 μm was used to measure OH radical concentrations, incorporating a correction for spectral interference from H2O. A wavelength division multiplexer (WDM) was used to enable the simultaneous operation of two lasers at 1.49 μm (OH) and 1.39 μm (H2O, temperature), allowing for correction of water interference. OH concentrations were determined using both WMS and direct absorption spectroscopy (DAS), and the results were evaluated through comparison with CHEMKIN simulations. The proposed dual-laser system demonstrated reliable and interference-corrected quantification of OH radicals in methane (CH4)/air premixed flames over a range of equivalence ratios. Comparisons with thermocouple-based temperature measurements and CHEMKIN-predicted species concentrations confirmed the reliability of the proposed technique. This study highlights the robustness and applicability of WMS-based OH diagnostics for combustion monitoring and demonstrates the potential for future implementation in industrial burner systems.
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Society for Applied Spectroscopy @sasspectroscopy.bsky.social · 27/07/2026
🌟 SciX 2026 Keynote Spotlight: Professor Jennifer Dionne SciX attendees won't want to miss “Exploring Light and Life: Nanophotonics and AI for Molecular Sequencing and Single-Cell Phenotyping,” presented by Professor Jennifer Dionne of Stanford University.
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