9:30 am EDT
Luis E. Rodriguez-Saona, professor, Department of Food Science and Technology, The Ohio State University
Molecular fingerprinting technology has evolved from bulky laboratory benchtop instrumentation to field-deployable devices, driven by advances in semiconductor and photonic technologies. Ongoing miniaturization of vibrational spectroscopy equipment has revolutionized the food industry by allowing on-site and real-time monitoring of food products and production processes to ensure quality and safety. Commercialization of ruggedized instrumentation for field deployment is enabling little or no sample preparation requirement, portability, and non-destructive capabilities. We will present the current state of research on applications of vibrational spectroscopy (mid-IR and NIR) for authentication of high-value ingredients, screening for contaminants, and monitoring key nutritional traits in breeding germplasm. Targeted and untargeted approaches allow the development of predictive models based on the unique spectral profiles of ingredients using pattern recognition analysis, allowing for testing to be done as close as possible to the original source, thus permitting detection of risks before an ingredient has been diluted or combined with other ingredients. By producing a characteristic chemical “fingerprint” with unique signature profiles, miniaturized molecular spectroscopy techniques combined with chemometric analysis have positioned as viable “green” alternatives for field applications allowing phenotyping, quality assurance, authentication, and detection of adulteration and contaminants in foods.
10:00 am EDT
Samuel Gourion-Arsiquaud, Director, Skin Science & Biological Substrates, TRI Princeton
Vibrational spectroscopy techniques are underestimated by cosmetic and biomedical companies. Indeed, these versatile techniques can be used at different levels from advance research to marketing and claims substantiation, from ex-vivo experiments to clinical evaluations. Moreover, vibrational spectroscopy imaging is a relevant approach to investigate and visualize the penetration of actives into the different skin layers with myriad applications for both cosmetics and biomedical sciences. In this presentation, we highlight the versatility of these techniques by describing different types of applications:
1) Monitoring of the penetration of exogenous substances into the different skin layers as well as their impact on the skin by Fourier transform infrared (FT-IR) and confocal Raman spectroscopy imaging.
2) Evaluating the impact of sunlight exposure on (i) skin barrier function and (ii) efficacy of future sunscreen products. FT-IR and confocal Raman imaging have shown how micro-encapsulation technology, or the use of film formers, can improve the retention of organic UV filters on the skin surface and thereby improve sunscreen efficacy and limit toxicological risks.
3) Generation of 3D face mapping based on in-vivo attenuated total reflectance (ATR) with FT-IR (ATR-FTIR) spectroscopy measurements to visualize sunscreen application during clinical evaluation and investigate the performance of a sunscreen formulation over time.
10:30 am EDT
Lili He, Associate Professor, Department of Food Science, University of Massachusetts Amherst; and Director, Raman, IR and XRF Core Facility, University of Massachusetts Amherst
Raman spectroscopy, owing to its advantages of providing chemical signature of a sample analyte in a quick and non-destructive way, as well as the capability of integrating with nanotechnology for enhanced performance in surface-enhanced Raman spectroscopy (SERS), has been applied to a variety of applications for food analysis, including the analysis of food components, additives, and contaminants. In this presentation, the author will talk about using Raman spectroscopy for differentiating antioxidant isomers, quantifying mixture components, characterizing chemical responses to thermal processing, and measuring the chemical distribution in encapsulation. In addition, the applications of two innovative SERS substrates, nanoparticle mirror and SERS needle, will be presented. The nanoparticle mirror substrate can be used as a coating for surface pesticide analysis. The SERS needle can be used for volatile spoilage marker detection in package headspace, multiphase detection, and minimum invasive analysis.
11:00 am EDT
Doreen Schober (speaker)1,3, Adam Gilmore2, Linxi Chen2, Jorge Zincker1, Alvaro Gonzalez1; (1) Center for Research and Innovation, Viña Concha y Toro, Pencahue, Chile; (2) Horiba Instruments Inc. Piscataway, NJ, USA; (3) Emiliana Organic Vineyards, Santiago, Chile
In this study, absorbance–transmission and fluorescence excitation emission matrix (A-TEEM) spectroscopy is introduced as a novel rapid quantitative analysis method for 44 individual phenolic and basic wine chemistry compounds. To date, no practical combined analysis method for these recognized quality parameters important to the wine industry exists. The method was implemented in a Lambert-Beer linear concentration range to facilitate traceable absorbance and fluorescence spectral signatures. Both components were comparatively analyzed as single and combined multi-block variable sets and regressed against high performance liquid chromatography with diode array detection (HPLC DAD) and UV-vis spectroscopy and other analytical reference data, using the extreme gradient boost regression (XGBR) and partial least squares regression (PLSR) algorithms. The approach was applied to 126 wines, and subsequently validated by a random split of 13% of the set and an additional independent set of 16 wines. XGBR with multi-block data organization systematically yielded the highest prediction accuracy and precision with respective overall valid fits indicated by mean R2 and relative bias of 0.94±0.04 and 4.1±1.8%. The method has been implemented in wine grape harvest to support quality and process management in industrial practice, including the use of a newly developed application interface to facilitate data processing and results interpretation from the previously developed chemometric models.
11:30 am EDT
Leading instrument suppliers give educational 20-minute talks
addressing applications, tips, and best practices in molecular spectroscopy
2:00 pm EDT
Kiera Evans, Sr. Application Scientist, PerkinElmer
With increasing regulation in the battery and energy storage market, as well as the pressure to improve supply chains and match the predicted growth in demand, the need to understand battery materials from both a QA/QC and an R&D standpoint has never been greater. This talk will aim to describe some of the applications of infrared spectroscopy and TG-IR within this space as well as giving participants an understanding of where these techniques fit in to this rapidly expanding and dynamic market.
2:20 pm EDT
Derek Guenther, Senior Application Scientist, Ocean Insight
Rapid detection is a key tool in the fight against the COVID-19 pandemic to accurately trace where the virus has been and where it may transmit to next. In this talk, Derek Guenther presents a surface-enhanced Raman spectroscopy (SERS) technique utilizing metallic nanoparticles and laser excitation to enhance trace detection of viral indicators such as the spike protein or resulting antibodies. This approach sets a foundation for immediate detection at high-volume venues such as concerts and airports, or at high-risk locations such as nursing homes.
2:40 pm EDT
Damon Strom, Technical Marketing, WITec GmbH
Microparticle analysis is increasingly important in fields ranging from environmental science, food analysis to pharmaceutical research or materials sciences. The combination of chemically-sensitive Raman spectroscopy with a confocal microscope and particle analysis software enables the automatic detection, categorization, quantification and characterization of microparticles. In this webinar, the technology is described in detail and its advantages are demonstrated using examples from the fields of microplastics analysis, pharmaceutical research, cosmetics, and materials science.
Our speaker will show how the associated particle analysis workflow is optimized to accelerate every step of the measurement process and how large numbers of particles in a sample can be quickly found, classified and identified using automated routines.
9:30 am EDT
Shawn (Xiaoyun) Chen, Senior Research Scientist, Dow
In situ spectroscopy using infrared (IR), Raman, and near-infrared (NIR) spectroscopy provides an ideal way to monitor reactions. There are many options in terms of instrument selection and sampling mode, and numerous pitfalls for a successful application. We will discuss the seven steps for successful application of in situ spectroscopy for reaction or process monitoring: 1. Discuss with process owner and project team whether in situ spectroscopy is the right tool for the task; 2. Conduct a feasibility or proof-of-concept study to choose the appropriate technique; 3. Start with a calibration experiment or a real reaction; 4. Decide on how much data to acquire and how to analyze the data; 5. Validate in situ spectroscopy results; 6. Implement the method and monitor reactions and processes; 7. Think about the potential for implementation in manufacturing.
10:00 am EDT
Ian J. Burgess, Professor, Department of Chemistry, University of Saskatchewan
Attenuated total reflection surface-enhanced infrared absorption spectroscopy (ATR-SEIRAS) is a powerful tool for surface studies and has been especially applied to electrochemical studies with great success. However, unlike the complementary surface enhanced Raman spectroscopy (SERS) technique, ATR-SEIRAS largely remains relegated to the domain of expert practitioners. This talk provides an overview of practical and off-the-shelf solutions for entry-level ATR-SEIRAS users. An overview of the relative advantages of different internal reflection element IRE) geometries and materials is followed by a comparison of different strategies for reliably modifying IRE surfaces with SEIRAS active metal layers. An evaluation of several experimental aspects that optimize ATR-SEIRAS performance using a commercially available, specular reflection accessory is provided. Selection of the ideal angle of incidence for maximizing ATR-SEIRAS performance is shown to require careful consideration of the optical throughput of the accessory, reflection losses at the crystal surfaces, the nature of the metal-coated IRE, and polarization effects.
10:30 am EDT
Peter J. Larkin, Group Leader, Spectroscopy, Thermal Analysis, and Chromatography, Cytec Solvay Group, and President Elect of the Society for Applied Spectroscopy (SAS)
Mid-infrared spectroscopy (4000-400 cm-1) is a well-established and powerful technique for research and development (R&D) and quality control (QC) analyses of polymeric systems. It is routinely used for routine identification, root cause analyses, and reverse engineering to develop a wide variety of finished goods. Recently Fourier transform IR (FT-IR) instrumentation has been introduced with potential routine access to the far-IR spectral region (400–50 cm-1) without changing optical components. We investigate the potential that including spectral information from the far IR region has for industrially important polyolefins. This includes evaluating various pigments and polymer additives in polyolefins as well as the effect of accelerated weathering.
11:00 am EDT
Charles S. Wong, PhD, Department Head, Chemistry, Southern California Coastal Water Research Project Authority
California is the first jurisdiction worldwide to require microplastics analysis in drinking water. However, standardized methods suitable for regulatory purposes are needed. Forty laboratories in six countries participated in an intercalibration study, by receiving and analyzing blind samples with particles of varying polymer types, sizes (1–1000 µm), colors, and morphologies. Extraction and analysis were performed on surrogates for drinking water using visual microscopy, Fourier transform infrared (FT-IR) spectroscopy, and Raman spectroscopy. Inter- and intra-laboratory performance and operator experience were assessed using draft standard operating procedures (SOPs) followed by procedures that laboratories were asked to follow. Processing and measurement method performance were optimized through permutations in SOPs for a subset of laboratories. Costs associated with training, time, equipment, and consumables were analyzed. Particle recovery was 92±12% (s) in clean water and decreased dramatically only for the smallest particles (1–20 µm). Performance was reduced for more complicated matrices that had to be removed, but not to the extent observed for 1–20 µm particles. Both forms of spectroscopy were accurate and precise, with no significant differences between novice and experienced laboratories. Training improved precision of measurements considerably. Results from this work have helped to develop the first monitoring program for microplastics in the world, and informed methods and quality assurance and quality control (QA/QC) for microplastics work worldwide.
11:30 am EDT
Leading instrument suppliers give educational 20-minute talks
addressing applications, tips, and best practices in molecular spectroscopy
2:00 pm EDT
James Carriere, PhD., THz-Raman Product Line Manager
Learn the many advantages of THz-Raman™ spectroscopy instrumentation over conventional spectroscopic tools, such as:
Simultaneous collection of both chemical and structural information about the material
Up to 10X stronger signals than conventional Raman
Unique structural fingerprint information only found in the low frequency portion of the Raman spectrum (<200cm-1).
Multiple sample interface accessory options available
Wavelength options from 532 nm to 1064 nm
2:20 pm EDT
Cassandra Phillips, Nanoscale IR Product Manager, Bruker
Bruker’s IconIR system, our newest AFM-IR platform, supports the leading-edge of materials research, development, and design. By combining industry-leading photothermal AFM-IR technology with the proven Dimension AFM platform we are establishing new standards in chemical and material property mapping with nanometer-scale chemical imaging resolution and FTIR-correlated spectroscopy. In this sponsor talk, hear how the latest advances in nanoscale AFM-IR technology can help you to better understand your materials.
2:40 pm EDT
Tim Smith, Raman Applications Manager, Renishaw plc
Raman spectrometers have many different lasers available. Which laser you choose depends on your application. In this talk we explore the wavelength, power, and focus choices available using practical examples. We discuss how to reduce the effects of fluorescence, maximizing signal without damaging your sample and the effect of laser and optics on spatial resolution.
