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Spectroscopy of rocks and minerals and principles of spectroscopy

Spectroscopy is the study of light as a function of wavelength that has been emitted, reflected or scattered from a solid, liquid, or gas. In this chapter I will primarily discuss the spectroscopy of minerals, but the principles apply to any material. No single chapter can cover this topic adequately, and one could argue, not even a single book. Thus, in some ways, this chapter may fall short of expectations, depending on the reader. In this chapter, I have tried to provide an overview of what is already known, some of which may be covered better in other reviews. I have also tried to present some of the practical lessons of spectroscopy, some of which have been in use by spectroscopists as common knowledge, but have not necessarily been previously published in detail. See Adams (1975), Hunt (1977), Farmer (1974), Hunt (1982); Clark and Roush (1984), Clark et al. (1990a), Gaffey et al . (1993), Salisbury (1993), and references in those papers for more details.

Book chapter

Spaceborne imaging spectroscopy enables carbon trait estimation in cover crop and cash crop residues

Purpose Cover crops and reduced tillage are two key climate smart agricultural practices that can provide agroecosystem services including improved soil health, increased soil carbon sequestration, and reduced fertilizer needs. Crop residue carbon traits (i.e., lignin, holocellulose, non-structural carbohydrates) and nitrogen concentrations largely mediate decomposition rates and amount of plant-available nitrogen accessible to cash crops and determine soil carbon residence time. Non-destructive approaches to quantify these important traits are possible using spectroscopy. Methods The objective of this study was to quantify cash and cover crop residue nitrogen and carbon traits using partial least squares regression models and a combination of 1) the band equivalent reflectance (BER) of the PRecursore IperSpettrale della Missione Applicativa (PRISMA) imaging spectroscopy sensor derived from laboratory collected ASD spectra (n = 296) of 11 cover crop species and three cash crop species, and 2) spaceborne PRISMA imagery that coincided with destructive crop residue collections in the spring of 2022 (n = 65). Spectral range was constrained to 1200 to 2400nm to reduce the likelihood of confounding relationships in wavelengths sensitive to plant pigments or those related to canopy structure for both analytical approaches. Results Models using laboratory BER of PRISMA all demonstrated high accuracies and low errors for estimation of nitrogen and carbon traits (adj. R2 = 0.86 – 0.98; RMSE = 0.24 – 4.25%) and results suggest that a single model may be used for a given trait across all species. Models using spaceborne imaging spectroscopy demonstrated that crop residue carbon traits can be successfully estimated using PRISMA imagery (adj. R2 = 0.65 – 0.75; RMSE = 2.71 – 4.16%). We found moderate relationships between nitrogen concentration and PRISMA imagery (adj. R2 = 0.52; RMSE = 0.25%), which is partly related to the range of nitrogen in these senesced crop residues (0.38 – 1.85%). PRISMA imagery models were also impacted by atmospheric absorption, variability in surface moisture content, and some presence of green vegetation. Conclusion As spaceborne imaging spectroscopy data become more widely available from upcoming missions, crop residue trait estimates could be regularly generated and integrated into decision support tools to calculate decomposition rates and associated nitrogen credits to inform precision field management, as well as to enable measurement, monitoring, reporting, and verification of net carbon benefits from climate smart agricultural practice adoption in an emerging carbon marketplace.

Maryland

Understanding organic matter heterogeneity and maturation rate by Raman spectroscopy

Solid organic matter (OM) in sedimentary rocks produces petroleum and solid bitumen when it undergoes thermal maturation. The solid OM is a ‘geomacromolecule’, usually representing a mixture of various organisms with distinct biogenic origins, and can have high heterogeneity in composition. Programmed pyrolysis is a common method to reveal bulk geochemical characteristics of the dominant OM, while detailed organic petrography is required to reveal information about the biogenic origin of contributing macerals. Despite the advantages of programmed pyrolysis, it cannot provide information about the heterogeneity of chemical compositions present in the individual OM types. Therefore, other analytical techniques such as Raman spectroscopy are necessary. In this study, we compared geochemical characteristics and Raman spectra of two sets of naturally and artificially matured Bakken source rock samples. A continuous Raman spectral map on solid bitumen particles was created from the artificially matured hydrous pyrolysis residues, in particular, to show the systematic chemical modifications in microscale. Spectroscopic data was plotted for both sets against thermal maturity to compare maturation rate/path for these two separate groups. The outcome showed that artificial maturation through hydrous pyrolysis does not follow the same trend as naturally-matured samples although having similar solid bitumen reflectance values (%SBRo). Furthermore, Raman spectroscopy of solid bitumen from artificially matured samples indicated the heterogeneity of OM decreases as maturity increases. This may represent an alteration in chemical structure towards more uniform compounds at higher maturity. This study may emphasize the necessity of using analytical methods such as Raman spectroscopy along with conventional geochemical methods to better reveal the underlying chemical structure of OM. Finally, observation by Raman spectroscopy of chemical alteration of OM during artificial maturation may assist in the proposal of improved pyrolysis protocols to better resemble natural geologic processes.

North Dakota

Mapping ancient sedimentary organic matter molecular structure at nanoscales using optical photothermal infrared spectroscopy

Elucidating the molecular structure of sedimentary organic matter (SOM) is key to understanding petroleum generation processes, as well as ancient sedimentary environments. SOM structure is primarily controlled by biogenic source material (e.g., marine vs. terrigenous), depositional conditions, and subsurface thermal history. Additional factors, e.g., strain, may also impact the molecular structure of SOM. Multiple spatially resolved approaches exist for in situ evaluation of SOM, including Raman and infrared spectroscopies, as well as mass spectrometric methods. While these methods have enabled increased understanding of the occurrence and distribution of SOM functional groups, they suffer from disadvantages including low spatial resolution (infrared spectroscopy), limited molecular information (Raman spectroscopy), and sample destruction (mass spectrometric methods). Recent technological advances have resulted in infrared spectrometers capable of breaking the Abbe diffraction limit, greatly increasing the spatial resolutions accessible for an infrared measurement. Here we utilize optical photothermal infrared spectroscopy (O-PTIR) to record maps of functional group distributions at 500 nm spatial resolution in Tasmanites (algal microfossils) from the Upper Devonian Ohio Shale. These data allow for discrimination between Tasmanites , adjacent SOM, and fine-grained minerals. Additionally, functional group distributions within Tasmanites were found to be generally homogenous, although slight variations exist between the body and fold apices (zones of greatest deformation) which may indicate strain-induced chemical reactions. The data presented here represent the first application of O-PTIR to study SOM, highlighting the promise of this analytical approach for future studies evaluating the molecular composition of geologic materials at sub-micron scales.

Organic Geochemistry

The EnMAP spaceborne imaging spectroscopy mission: Initial scientific results two years after launch

Imaging spectroscopy has been a recognized and established remote sensing technology since the 1980s, mainly using airborne and field-based platforms to identify and quantify key bio- and geo-chemical surface and atmospheric compounds, based on characteristic spectral reflectance features in the visible-near infrared (VNIR) and short-wave infrared (SWIR). Spaceborne missions, a leap in technology, were sparse, starting with the CHRIS/PROBA and EO1/Hyperion missions in the early 2000s, and providing spectroscopy data with limited spectral coverage and/or low data quality in the SWIR. Since 2019, several countries and agencies have successfully launched a number of spaceborne imaging spectroscopy systems into orbit or deployed them on the International Space Station (ISS) such as DESIS, PRISMA, HISUI, GF-5, EnMAP and EMIT. Among these recent missions, the German Environmental Mapping and Analysis Program (EnMAP) stands for its long-term development, sophisticated design with on-board calibration, high data quality requirements, and extensive accompanying science program. EnMAP was launched in April 2022 and, following a successful commissioning phase, started its operational activities in November 2022. The EnMAP mission encompasses global coverage from 80° N to 80° S through on-demand data acquisitions. Data are free and open access with 30 m spatial resolution, a high spectral resolution with a spectral sampling distance of 6.5 nm and 10 nm in the VNIR and SWIR regions respectively, and a high signal-to-noise ratio. In this paper, we aim to present the mission's current status, coverage, science capabilities and performance two years after launch. We show the potential of EnMAP for space-based imaging spectroscopy to operate in various environments, including high and low light levels, dense forests, Antarctic glaciers, and arid agricultural areas. EnMAP enables various applications in fields such as agriculture and forestry, soil compositional, raw materials, and methane mapping, as well as water quality assessment, and snow and ice properties. The results show that EnMAP's performance exceeds the mission requirements, and highlights the significant potential for contribution to scientific exploitation in various geo- and biochemical sciences. EnMAP is also expected to serve as a key tool for the development and testing of data processing algorithms for upcoming global operational missions.

Remote Sensing of Environment

Imaging spectroscopy: Earth and planetary remote sensing with the USGS Tetracorder and expert systems

Imaging spectroscopy is a tool that can be used to spectrally identify and spatially map materials based on their specific chemical bonds. Spectroscopic analysis requires significantly more sophistication than has been employed in conventional broadband remote sensing analysis. We describe a new system that is effective at material identification and mapping: a set of algorithms within an expert system decision‐making framework that we call Tetracorder. The expertise in the system has been derived from scientific knowledge of spectral identification. The expert system rules are implemented in a decision tree where multiple algorithms are applied to spectral analysis, additional expert rules and algorithms can be applied based on initial results, and more decisions are made until spectral analysis is complete. Because certain spectral features are indicative of specific chemical bonds in materials, the system can accurately identify and map those materials. In this paper we describe the framework of the decision making process used for spectral identification, describe specific spectral feature analysis algorithms, and give examples of what analyses and types of maps are possible with imaging spectroscopy data. We also present the expert system rules that describe which diagnostic spectral features are used in the decision making process for a set of spectra of minerals and other common materials. We demonstrate the applications of Tetracorder to identify and map surface minerals, to detect sources of acid rock drainage, and to map vegetation species, ice, melting snow, water, and water pollution, all with one set of expert system rules. Mineral mapping can aid in geologic mapping and fault detection and can provide a better understanding of weathering, mineralization, hydrothermal alteration, and other geologic processes. Environmental site assessment, such as mapping source areas of acid mine drainage, has resulted in the acceleration of site cleanup, saving millions of dollars and years in cleanup time. Imaging spectroscopy data and Tetracorder analysis can be used to study both terrestrial and planetary science problems. Imaging spectroscopy can be used to probe planetary systems, including their atmospheres, oceans, and land surfaces.

Journal of Geophysical Research E: Planets

Hyperspectral narrowband imaging spectroscopy: A new paradigm for Earth observation

This editorial introduces the Special Issue entitled “Hyperspectral Narrowband Imaging Spectroscopy: A New Paradigm for Earth Observation” in the August 2026 issue of Photogrammetric Engineering & Remote Sensing (PE&RS), the flagship journal of the American Society for Photogrammetry and Remote Sensing (ASPRS). This volume represents the fourth dedicated hyperspectral special issue published in PE&RS, following earlier contributions by Thenkabail et al. (2025, 2024a, 2024b), and continues ASPRS’s commitment to advancing cutting‑edge imaging spectroscopy research and its applications across Earth system science. Remote sensing is undergoing one of the most profound transformations in its history. The emergence of hyperspectral narrowband (HNB) imaging spectroscopy data, capable of acquiring hundreds of contiguous, narrow spectral bands, has shifted the discipline from observing Earth in a handful of broad spectral windows to capturing continuous spectral signatures of the Planet. This transition marks a decisive break from the multispectral paradigm that has dominated satellite remote sensing for nearly five decades, driven by the advent of new orbital imaging spectrometers such as EnMAP, PRISMA, and NASA’s EMIT, and by the forthcoming Surface Biology and Geology (SBG) mission ((Pires Silva et al., 2026; Bourriz et al., 2025; Thenkabail et al., 2025; Chabrillat et al., 2024; Aneece et al., 2024; Dave et al., 2024; Thenkabail et al., 2024a; Thenkabail et al., 2024b; Thenkabail, 2024a; Thenkabail, 2024b; Thompson et al., 2022; Kokaly et al., 2022; Aneece & Thenkabail, 2022; Cawse Nicholson et al., 2021; Guanter et al., 2021; Vangi et al., 2021; Thenkabail et al., 2021). These missions (e.g., Table 1) deliver unprecedented spectral fidelity, improved signal to noise ratios, and global coverage capabilities, enabling a new era of quantitative, spectroscopy based Earth observation. Where multispectral broadbands (MBBs) provide only a few discrete measurements along the electromagnetic spectrum, HNB systems deliver rich, diagnostic information that enables scientists to characterize Earth’s surface with unprecedented biochemical, biophysical, and structural detail (Figure 1a, 1b). The implications for environmental monitoring, agriculture, water resources, and mineral exploration are profound. Several overarching themes emerge: • Spectral fidelity matters. The ability to preserve subtle absorption features is essential for mineral mapping, vegetation trait retrieval, and biochemical modeling. • AI and deep learning are indispensable. From destriping to classification, modern analytics must be scalable, label‑efficient, and capable of exploiting the full spectral–spatial richness of HNB data. • Physics‑based and data‑driven approaches must converge. Radiative transfer models such as PROSAIL, enhanced with localized soil parameterizations, remain foundational for biophysical retrievals and model‑based inference. • Dimensionality reduction and feature extraction are critical. Techniques such as L1‑ISOMAP demonstrate that intelligent manifold learning can unlock the structure of fused, high‑dimensional datasets. • Next‑generation architectures must be interactive and multimodal. ICTNet exemplifies the future of hyperspectral classification: hybrid, synergistic, and capable of modeling both local textures and global spectral dependencies.

Photogrammetric Engineering and Remote Sensing (PE

Porosity, strength, and alteration – Towards a new volcano stability assessment tool using VNIR-SWIR reflectance spectroscopy

Volcano slope stability analysis is a critical component of volcanic hazard assessments and monitoring. However, traditional methods for assessing rock strength require physical samples of rock which may be difficult to obtain or characterize in bulk. Here, visible to shortwave infrared (350–2500 nm; VNIR–SWIR) reflected light spectroscopy on laboratory-tested rock samples from Ruapehu, Ohakuri, Whakaari, and Banks Peninsula (New Zealand), Merapi (Indonesia), Chaos Crags (USA), Styrian Basin (Austria) and La Soufrière de Guadeloupe (Eastern Caribbean) volcanoes was used to design a novel rapid chemometric-based method to estimate uniaxial compressive strength (UCS) and porosity. Our Partial Least Squares Regression models return moderate accuracies for both UCS and porosity, with R 2 of 0.43–0.49 and Mean Absolute Percentage Error (MAPE) of 0.2–0.4. When laboratory-measured porosity is included with spectral data, UCS prediction reaches an R 2 of 0.82 and MAPE of 0.11. Our models highlight that the observed changes in the UCS are coupled with subtle mineralogical changes due to hydrothermal alteration at wavelengths of 360–438, 532–597, 1405–1455, 2179–2272, 2332–2386, and 2460–2490 nm. These mineralogical changes include mineral replacement, precipitation hydrothermal alteration processes which impact the strength of volcanic rocks, such as mineral replacement, precipitation, and/or silicification. Our approach highlights that spectroscopy can provide a first order assessment of rock strength and/or porosity or be used to complement laboratory porosity-based predictive models. VNIR-SWIR spectroscopy therefore provides an accurate non-destructive way of assessing rock strength and alteration mineralogy, even from remote sensing platforms.

Earth and Planetary Science Letters

Organic petrology and micro-spectroscopy of Tasmanites microfossils: Applications to kerogen transformations in the early oil window

The transformation of kerogen to hydrocarbons in the early stages of oil generation is critical for understanding the resource potential of liquid-rich shale plays. Organic petrology commonly is used for visual evaluation of type, quality, and thermal maturity of organic matter, but the relationship of visual petrographic changes to chemical transformations is not well characterized. To improve understanding of these processes, organic-walled microfossils of the unicellular green alga Tasmanites (composed of algaenan) in Upper Devonian Ohio Shale (Huron Member, Appalachian Basin) were analyzed by micro-spectroscopy techniques including micro-Fourier transform infrared (micro-FTIR), X-ray photoelectron (XPS), electron probe microanalysis (EPMA), and fluorescence. Immature to mid-oil window maturation sequences of core and outcrop samples with solid bitumen reflectance (BR) and vitrinite reflectance (VR) values ranging from 0.45 to 0.80 %Ro were used. Hydrous pyrolysis was applied to low-maturity (BR: 0.25–0.39 %Ro) Huron and time-correlative New Albany shale samples to create similar artificial maturation sequences for comparison. Micro-FTIR spectroscopy revealed a decrease in the CH 2 /CH 3 ratio with increasing maturity, indicating Tasmanites aliphatic chains become shorter and more branched. Oxygenated functional groups decreased relative to aliphatic stretching bands and increased aromaticity was noted at the highest maturities. In samples that were pyrolyzed for 72 h at temperatures of 300–320 °C (BR: 0.56–0.68 %Ro), Tasmanites showed similar trends, whereas at pyrolysis temperatures of 340 °C and higher (BR > 1.0 %Ro), Tasmanites was pseudomorphed by accumulations of solid bitumen, carbonate and sulfide. Replacement of Tasmanites by these phases in hydrous pyrolysis experiments ≥340 °C and its absence at higher maturities (peak oil, VR and BR ≥ 0.9 %Ro) in naturally matured samples, as documented in a previous study, implies that a large fraction of the algaenan component of original organic carbon is converted to petroleum during thermal maturation. XPS analysis indicated the molar proportion of aliphatic carbon increases with increasing thermal maturity, accompanied by decreases in oxygenated functional groups and olefinic carbon. EPMA of Tasmanites showed highest concentrations of S, with concentrations of redox-sensitive trace elements U, Mo, Ni and V generally at or below detection limits. Decrease in organic S with increasing thermal maturity may be related to cleavage of Tasmanites at C S linkages; however, this relationship was inconsistent and presence of adjacent or entrained nanoscale silicate or sulfide phases may impact measured trace element concentrations. Fluorescence microscopy and spectroscopy showed a red shift in spectral maxima and decreased emission intensities with increasing maturity, interpreted as due to non-radiative energy loss possibly because of increased aromaticity. Collectively, these results provide new insights into the in situ chemical transformations that accompany petrographic changes as oil-prone kerogen converts to petroleum with thermal advance from immature conditions into the mid-oil window.

Organic Geochemistry

Application of Raman spectroscopy as thermal maturity probe in shale petroleum systems: Insights from natural and artificial maturation series

Raman spectroscopy was studied as a thermal maturity probe in a series of Upper Devonian Ohio Shale samples from the Appalachian Basin spanning from immature to dry gas conditions. Raman spectroscopy also was applied to samples spanning a similar thermal range created from 72-h hydrous pyrolysis (HP) experiments of the Ohio Shale at temperatures from 300 to 360 °C and isothermal HP experiments lasting up to 100 days of similar Devonian–Mississippian New Albany Shale. Raman spectra were treated by automated evaluation software based on iterative and simultaneous modeling of signal and baseline functions to decrease subjectivity. Spectra show robust correlation to measured solid bitumen reflectance (BR o ) values and were therefore used to construct logarithmic regression relationships for calculation of BR o equivalent values. Raman spectra show considerable differences between natural samples and HP residues with similar measured BR o values, indicating as-yet undetermined differences in carbon chemistry. We speculate this result may be due to differences in the sampling interactions of Raman vs reflectance measurements, and the incomplete nature of maturation reactions in the time-limited hydrous pyrolysis residues. Samples used in this study are similar in organic assemblage (dominantly solid bitumen) to other commonly exploited North American shale petroleum systems, i.e., Bakken, Barnett, Duvernay, Fayetteville, and Woodford shales. Therefore, results presented herein may be broadly applicable to other important shale plays. However, caution is suggested and Raman spectroscopy as a thermal probe may need individual calibration in each shale play due to differences in solid bitumen carbon chemistry.

Energy & Fuels

Discrete sample introduction module for quantitative and isotopic analysis of methane and other gases by cavity ring-down spectroscopy

Carbon dioxide (CO 2 ) and methane (CH 4 ) are natural and anthropogenic products that play a central role in the global carbon cycle and regulating Earth’s climate. Applications utilizing laser absorption spectroscopy, which continuously measure concentrations and stable isotope ratios of these greenhouse gases, are routinely employed to measure the source and magnitude of atmospheric inputs. We developed a discrete sample introduction module (DSIM) to enable measurements of methane and CO 2 concentrations and δ 13 C values from limited volume (5–100 mL) gas samples when interfaced with a commercially available cavity ring-down spectroscopy (CRDS) analyzer. The analysis has a dynamic range that spans six orders of magnitude from 100% analyte to the lower limit of instrument detection (2 ppm). We demonstrate system performance for methane by comparing concentrations and δ 13 C results from the DSIM-CRDS system and traditional methods for a variety of sample types, including low concentration (nanomolar CH 4 ) seawater and high concentration (>90% CH 4 ) natural gas. The expansive concentration range of the field-portable DSIM-CRDS system can measure enhances analytical performance for investigating methane and CO 2 dynamics and, potentially, other gases measured by laser absorption spectroscopy.

Environmental Science & Technology

The future of imaging spectroscopy - Prospective technologies and applications

Spectroscopy has existed for more than three centuries now. Nonetheless, significant scientific advances have been achieved. We discuss the history of spectroscopy in relation to emerging technologies and applications. Advanced focal plane arrays, optical design, and intelligent on-board logic are prime prospective technologies. Scalable approaches in pre-processing of imaging spectrometer data will receive additional focus. Finally, we focus on new applications monitoring transitional ecological zones, where human impact and disturbance have highest impact as well as in monitoring changes in our natural resources and environment We conclude that imaging spectroscopy enables mapping of biophysical and biochemical variables of the Earth's surface and atmospheric composition with unprecedented accuracy.

Conference Paper

Spectroscopy from Space

This chapter reviews detection of materials on solid and liquid (lakes and ocean) surfaces in the solar system using ultraviolet to infrared spectroscopy from space, or near space (high altitude aircraft on the Earth), or in the case of remote objects, earth-based and earth-orbiting telescopes. Point spectrometers and imaging spectrometers have been probing the surfaces of our solar system for decades. Spacecraft carrying imaging spectrometers are currently in orbit around Mercury, Venus, Earth, Mars, and Saturn, and systems have recently visited Jupiter, comets, asteroids, and one spectrometer-carrying spacecraft is on its way to Pluto. Together these systems are providing a wealth of data that will enable a better understanding of the composition of condensed matter bodies in the solar system. Minerals, ices, liquids, and other materials have been detected and mapped on the Earth and all planets and/or their satellites where the surface can be observed from space, with the exception of Venus whose thick atmosphere limits surface observation. Basaltic minerals (e.g., pyroxene and olivine) have been detected with spectroscopy on the Earth, Moon, Mars and some asteroids. The greatest mineralogic diversity seen from space is observed on the Earth and Mars. The Earth, with oceans, active tectonic and hydrologic cycles, and biological processes, displays the greatest material diversity including the detection of amorphous and crystalline inorganic materials, organic compounds, water and water ice. Water ice is a very common mineral throughout the Solar System and has been unambiguously detected or inferred in every planet and/or their moon(s) where good spectroscopic data has been obtained. In addition to water ice, other molecular solids have been observed in the solar system using spectroscopic methods. Solid carbon dioxide is found on all systems beyond the Earth except Pluto, although CO 2 sometimes appears to be trapped in other solids rather than as an ice on some objects. The largest deposits of carbon dioxide ice are found on Mars. Sulfur dioxide ice is found in the Jupiter system. Nitrogen and methane ices are common beyond the Uranian system. Saturn’s moon Titan probably has the most complex active extra-terrestrial surface chemistry involving organic compounds. Some of the observed or inferred compounds include ices of benzene (C 6 H 6 ), cyanoacetylene (HC 3 N), toluene (C 7 H 8 ), cyanogen (C 2 N 2 ), acetonitrile (CH 3 CN), water (H 2 O), carbon dioxide (CO 2 ), and ammonia (NH 3 ). Confirming compounds on Titan is hampered by its thick smoggy atmosphere, where in relative terms the atmospheric interferences that hamper surface characterization lie between that of Venus and Earth. In this chapter we exclude discussion of the planets Jupiter, Saturn, Uranus, and Neptune because their thick atmospheres preclude observing the surface, even if surfaces exist. However, we do discuss spectroscopic observations on a number of the extra-terrestrial satellite bodies. Ammonia was predicted on many icy moons but is notably absent among the definitively detected ices with possible exceptions on Charon and possible trace amounts on some of the Saturnian satellites. Comets, storehouses of many compounds that could exist as ices in their nuclei, have only had small amounts of water ice definitively detected on their surfaces from spectroscopy. Only two asteroids have had a direct detection of surface water ice, although its presence can be inferred in others.

Reviews in Mineralogy and Geochemistry

Stacked machine learning for timber identification with laser-induced breakdown spectroscopy (LIBS)

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.

Applied Spectroscopy

Unlocking ecological insights from sub-seasonal visible-to-shortwave infrared imaging spectroscopy: The SHIFT campaign

We stand at the threshold of a transformative era in Earth observation, marked by space-borne visible-to-shortwave infrared (VSWIR) imaging spectrometers that promise consistent global observations of ecosystem function, phenology, and inter- and intra-annual change. However, the full value of repeat spectroscopy, the information embedded within different temporal scales, and the reliability of existing algorithms across diverse ecosystem types and vegetation phenophases have remained elusive due to the absence of suitable sub-seasonal spectroscopy data. In response, the Surface Biology and Geology (SBG) High-Frequency Time Series (SHIFT) campaign was initiated during late February 2022 in Santa Barbara County, California. SHIFT, designed to support NASA's SBG mission, addressed mission scoping, scientific advancement, applications development, and community building. This ambitious endeavor included weekly Airborne Visible InfraRed Imaging Spectrometer-Next Generation (AVIRIS-NG) imagery acquisitions for 13 weeks (spanning February 24 to May 29, 2022), accompanied by coordinated terrestrial vegetation and coastal aquatic data collection. We describe the rich datasets collected and illustrate how the complex sub-seasonal patterns of change can be linked to biological science and applications, surpassing insights from multispectral observations. Leveraging open-source processing methods and cloud-based analysis tools, the SHIFT campaign showcases the readiness of the scientific community to harness ecological insights from remotely sensed hyperspectral time series. We provide an overview of SHIFT's goals, data collections, preliminary results, and the collaborative efforts of early career scientists committed to unlocking the transformative potential of high-frequency time series data from space-borne VSWIR imaging spectrometers.

Ecosphere

X-ray scattering and spectroscopy studies on diesel soot from oxygenated fuel under various engine load conditions

Diesel soot from reference diesel fuel and oxygenated fuel under idle and load engine conditions was investigated with X-ray scattering and X-ray carbon K-edge absorption spectroscopy. Up to five characteristic size ranges were found. Idle soot was generally found to have larger primary particles and aggregates but smaller crystallites, than load soot. Load soot has a higher degree of crystallinity than idle soot. Adding oxygenates to diesel fuel enhanced differences in the characteristics of diesel soot, or even reversed them. Aromaticity of idle soot from oxygenated diesel fuel was significantly larger than from the corresponding load soot. Carbon near-edge X-ray absorption fine structure (NEXAFS) spectroscopy was applied to gather information about the presence of relative amounts of carbon double bonds (CC, CO) and carbon single bonds (C-H, C-OH, COOH). Using scanning X-ray transmission microspectroscopy (STXM), the relative amounts of these carbon bond states were shown to vary spatially over distances approximately 50 to 100 nm. The results from the X-ray techniques are supported by thermo-gravimetry analysis and high-resolution transmission electron microscopy. ?? 2005 Elsevier Ltd. All rights reserved.

Carbon

Leveraging airborne imaging spectroscopy and multispectral satellite imagery to map glacial sediment plumes in Kachemak Bay, Alaska

Study Region Kachemak Bay is a fjord-type estuary in the northern Gulf of Alaska. Water quality and habitat characteristics are strongly influenced by freshwater and sediment input from multiple glacierized catchments. Study Focus We present a new method combining imaging spectroscopy from an airborne survey with Landsat and Sentinel-2 imagery to map water surface turbidity originating from glacial runoff based on spectral abundance. We compare the spectral characteristics of turbid glacial water to clear water and generate a high resolution reference map of glacial turbidity in Kachemak Bay. This informs the subsequent analysis of a homogenized, Rayleigh corrected time series of Landsat and Sentinel-2 images and seasonal patterns of turbidity. New Hydrological Insights for the Region Our results provide the most comprehensive data set on water surface turbidity in Kachemak Bay to date and improve understanding of spatial and seasonal variability of glacial turbidity in a data sparse region. July and August have the largest plumes with median sizes around 150 km 2 "> 2 , or around a quarter of Kachemak Bay. Plume sizes typically decrease with decreasing glacier runoff in September and October. We show that imaging spectroscopy aids assessments of turbid water in glacial marine catchments across scales. Leveraging high resolution spectral information allows for water color analyses that are customized to local conditions and catchment characteristics as well as scalable to wider regions.

Alaska

Speciation and characterization of arsenic in gold ores and cyanidation tailings using X-ray absorption spectroscopy

The knowledge of mineralogy and molecular structure of As is needed to better understand the stability of As in wastes resulting from processing of gold ores. In this study, optical microscopy, scanning electron microscopy, electron microprobe, X-ray diffraction and X-ray absorption fine structure (XAFS) spectroscopy (including both XANES and EXAFS regimes) were employed to determine the mineralogical composition and local coordination environment of As in gold ores and process tailings from bench-scale tests designed to mimic a common plant practice. Arsenic-bearing minerals identified in the ores and tailings include iron (III) oxyhydroxides, scorodite (FeAsO4??2H2O), ferric arsenates, arseniosiderite (Ca2Fe3 (AsO4)3O2??3H2O), Ca-Fe arsenates, pharmacosiderite (KFe4 (AsO4)3(OH)4??6-7H2O), jarosite (K2Fe6(SO4)4 (OH)12) and arsenopyrite (FeAsS). Iron (III) oxyhydroxides contain variable levels of As from trace to about 22 wt% and Ca up to approximately 9 wt%. Finely ground ore and tailings samples were examined by bulk XAFS and selected mineral grains were analyzed by microfocused XAFS (micro-EXAFS) spectroscopy to reconcile the ambiguities of multiple As sources in the complex bulk EXAFS spectra. XANES spectra indicated that As occurs as As5+in all the samples. Micro-EXAFS spectra of individual iron (III) oxyhydroxide grains with varying As concentrations point to inner-sphere bidentate-binuclear arsenate complexes as the predominant form of As. There are indications for the presence of a second Fe shell corresponding to bidentate-mononuclear arrangement. Iron (III) oxyhydroxides with high As concentrations corresponding to maximum adsorption densities probably occur as nanoparticles. The discovery of Ca atoms around As in iron (III) oxyhydroxides at interatomic distances of 4.14-4.17 A?? and the coordination numbers suggest the formation of arseniosiderite-like nanoclusters by coprecipitation rather than simple adsorption of Ca onto iron (III) oxyhydroxides. Correlation of Ca with As in iron (III) oxyhydroxides as determined by electron microprobe analysis supports the coprecipitate origin for the presence of Ca in iron (III) oxyhydroxides. The samples containing higher abundances of ferric arsenates released higher As concentrations during the cyanidation tests. The presence of highly soluble ferric arsenates and Ca-Fe arsenates, and relatively unstable iron (III) oxyhydroxides with Fe/As molar ratios of less than 4 in the ore and process tailings suggests that not only the tailings in the impoundment will continue to release As, but also there is the potential for mobilization of As from the natural sources such as the unmined ore. ?? 2004 Elsevier Ltd.

Geochimica et Cosmochimica Acta